N-[(2S,4S)-1-[4-(acetamidomethyl)phenyl]sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(1R,5S)-8-[4-(2-aminopropan-2-yl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2R,4S,5R)-1-(3-aminopropylsulfonyl)-2,5-dimethylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2S,4S)-1-[3-(benzhydrylamino)propylsulfonyl]-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5R)-9-(4-ethylpiperazin-1-yl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[3-(hydroxymethyl)piperazin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[2-[2-(methoxymethyl)pyrrolidin-1-yl]ethylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2S,4S)-2-methyl-1-[3-(2-methylpropylamino)propylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-[4-(2-piperazin-1-ylethoxy)benzoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-(4-methylpiperazin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-(4-methylpiperidine-4-carbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-(4-piperidin-4-ylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-3-methyl-1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(5R)-9-[(5-methyl-2-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide

C302H432N60O57S11 — CID 157430996

IUPACN-[(2S,4S)-1-[4-(acetamidomethyl)phenyl]sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(1R,5S)-8-[4-(2-aminopropan-2-yl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2R,4S,5R)-1-(3-aminopropylsulfonyl)-2,5-dimethylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2S,4S)-1-[3-(benzhydrylamino)propylsulfonyl]-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5R)-9-(4-ethylpiperazin-1-yl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[3-(hydroxymethyl)piperazin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[2-[2-(methoxymethyl)pyrrolidin-1-yl]ethylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2S,4S)-2-methyl-1-[3-(2-methylpropylamino)propylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-[4-(2-piperazin-1-ylethoxy)benzoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-(4-methylpiperazin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-(4-methylpiperidine-4-carbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-(4-piperidin-4-ylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-3-methyl-1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(5R)-9-[(5-methyl-2-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N2CC[C@H](NC(=O)c3cc(C4CC4)on3)C[C@@H]2C)cc1.CC(C)(N)c1ccc(S(=O)(=O)N2[C@@H]3CC[C@H]2CC(NC(=O)c2cc(C4CC4)on2)C3)cc1.CC(C)CNCCCS(=O)(=O)N1CC[C@H](NC(=O)c2cc(C3CC3)on2)C[C@@H]1C.CC1(C(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CCNCC1.CCN1CCN(S(=O)(=O)N2[C@@H]3CCC[C@@H]2CC(NC(=O)c2cc(C4CC4)on2)C3)CC1.CN1CCN(S(=O)(=O)N2[C@@H]3CC[C@H]2CC(NC(=O)c2cc(C4CC4)on2)C3)CC1.COCC1CCCN1CCS(=O)(=O)N1[C@@H]2CC[C@H]1CC(NC(=O)c1cc(C3CC3)on1)C2.C[C@@H]1CN(S(=O)(=O)CCCN)[C@H](C)C[C@@H]1NC(=O)c1cc(C2CC2)on1.C[C@@H]1C[C@H](NC(=O)c2cc(C3CC3)on2)CCN1C(=O)c1ccc(C2CCNCC2)cc1.C[C@@H]1C[C@H](NC(=O)c2cc(C3CC3)on2)CCN1C(=O)c1ccc(OCCN2CCNCC2)cc1.C[C@H]1CN(S(=O)(=O)CC2CCNCC2)CC[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@H]1C[C@@H](NC(=O)c2cc(C3CC3)on2)CCN1S(=O)(=O)CCCNC(c1ccccc1)c1ccccc1.Cc1ccc(S(=O)(=O)N2C3CCC[C@@H]2CC(NC(=O)c2cc(C4CC4)on2)C3)nc1.O=C(NC1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)N1CCNC(CO)C1)c1cc(C2CC2)on1
InChIInChI=1S/C29H36N4O4S.C26H35N5O4.C25H32N4O3.C23H30N4O4S.C22H34N4O5S.C22H28N4O5S.C21H33N5O4S.C21H26N4O4S.C20H34N4O4S.C19H29N5O5S.C19H29N5O4S.C19H30N4O4S.C19H28N4O3.C17H28N4O4S/c1-21-19-25(31-29(34)26-20-27(37-32-26)22-13-14-22)15-17-33(21)38(35,36)18-8-16-30-28(23-9-4-2-5-10-23)24-11-6-3-7-12-24;1-18-16-21(28-25(32)23-17-24(35-29-23)19-2-3-19)8-11-31(18)26(33)20-4-6-22(7-5-20)34-15-14-30-12-9-27-10-13-30;1-16-14-21(27-24(30)22-15-23(32-28-22)19-4-5-19)10-13-29(16)25(31)20-6-2-17(3-7-20)18-8-11-26-12-9-18;1-23(2,24)15-5-9-19(10-6-15)32(29,30)27-17-7-8-18(27)12-16(11-17)25-22(28)20-13-21(31-26-20)14-3-4-14;1-30-14-19-3-2-8-25(19)9-10-32(28,29)26-17-6-7-18(26)12-16(11-17)23-22(27)20-13-21(31-24-20)15-4-5-15;1-14-11-18(24-22(28)20-12-21(31-25-20)17-5-6-17)9-10-26(14)32(29,30)19-7-3-16(4-8-19)13-23-15(2)27;1-2-24-8-10-25(11-9-24)31(28,29)26-17-4-3-5-18(26)13-16(12-17)22-21(27)19-14-20(30-23-19)15-6-7-15;1-13-5-8-20(22-12-13)30(27,28)25-16-3-2-4-17(25)10-15(9-16)23-21(26)18-11-19(29-24-18)14-6-7-14;1-14(2)13-21-8-4-10-29(26,27)24-9-7-17(11-15(24)3)22-20(25)18-12-19(28-23-18)16-5-6-16;25-11-14-10-23(6-5-20-14)30(27,28)24-15-3-4-16(24)8-13(7-15)21-19(26)17-9-18(29-22-17)12-1-2-12;1-22-6-8-23(9-7-22)29(26,27)24-15-4-5-16(24)11-14(10-15)20-19(25)17-12-18(28-21-17)13-2-3-13;1-13-11-23(28(25,26)12-14-4-7-20-8-5-14)9-6-16(13)21-19(24)17-10-18(27-22-17)15-2-3-15;1-19(6-8-20-9-7-19)18(25)23-10-4-14(5-11-23)21-17(24)15-12-16(26-22-15)13-2-3-13;1-11-10-21(26(23,24)7-3-6-18)12(2)8-14(11)19-17(22)15-9-16(25-20-15)13-4-5-13/h2-7,9-12,20-22,25,28,30H,8,13-19H2,1H3,(H,31,34);4-7,17-19,21,27H,2-3,8-16H2,1H3,(H,28,32);2-3,6-7,15-16,18-19,21,26H,4-5,8-14H2,1H3,(H,27,30);5-6,9-10,13-14,16-18H,3-4,7-8,11-12,24H2,1-2H3,(H,25,28);13,15-19H,2-12,14H2,1H3,(H,23,27);3-4,7-8,12,14,17-18H,5-6,9-11,13H2,1-2H3,(H,23,27)(H,24,28);14-18H,2-13H2,1H3,(H,22,27);5,8,11-12,14-17H,2-4,6-7,9-10H2,1H3,(H,23,26);12,14-17,21H,4-11,13H2,1-3H3,(H,22,25);9,12-16,20,25H,1-8,10-11H2,(H,21,26);12-16H,2-11H2,1H3,(H,20,25);10,13-16,20H,2-9,11-12H2,1H3,(H,21,24);12-14,20H,2-11H2,1H3,(H,21,24);9,11-14H,3-8,10,18H2,1-2H3,(H,19,22)/t21-,25-;18-,21-;16-,21-;16?,17-,18+;16?,17-,18+,19?;14-,18-;17-,18-;15?,16-,17?;15-,17-;13?,14?,15-,16+;14?,15-,16+;13-,16+;;11-,12-,14+/m011..0110..0.1/s1
InChIKeyBQNMSSYLCTZKMZ-XAHRJQLRSA-N
MW6167.88 g/mol
LogP27.68
Rot. Bonds95

About N-[(2S,4S)-1-[4-(acetamidomethyl)phenyl]sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(1R,5S)-8-[4-(2-aminopropan-2-yl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2R,4S,5R)-1-(3-aminopropylsulfonyl)-2,5-dimethylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2S,4S)-1-[3-(benzhydrylamino)propylsulfonyl]-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5R)-9-(4-ethylpiperazin-1-yl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[3-(hydroxymethyl)piperazin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[2-[2-(methoxymethyl)pyrrolidin-1-yl]ethylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2S,4S)-2-methyl-1-[3-(2-methylpropylamino)propylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-[4-(2-piperazin-1-ylethoxy)benzoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-(4-methylpiperazin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-(4-methylpiperidine-4-carbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-(4-piperidin-4-ylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-3-methyl-1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(5R)-9-[(5-methyl-2-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide

N-[(2S,4S)-1-[4-(acetamidomethyl)phenyl]sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(1R,5S)-8-[4-(2-aminopropan-2-yl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2R,4S,5R)-1-(3-aminopropylsulfonyl)-2,5-dimethylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2S,4S)-1-[3-(benzhydrylamino)propylsulfonyl]-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5R)-9-(4-ethylpiperazin-1-yl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[3-(hydroxymethyl)piperazin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[2-[2-(methoxymethyl)pyrrolidin-1-yl]ethylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2S,4S)-2-methyl-1-[3-(2-methylpropylamino)propylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-[4-(2-piperazin-1-ylethoxy)benzoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-(4-methylpiperazin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-(4-methylpiperidine-4-carbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-(4-piperidin-4-ylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-3-methyl-1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(5R)-9-[(5-methyl-2-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 157430996) has the molecular formula C302H432N60O57S11 and a molecular weight of 6167.88 g/mol. Its IUPAC name is N-[(2S,4S)-1-[4-(acetamidomethyl)phenyl]sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(1R,5S)-8-[4-(2-aminopropan-2-yl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2R,4S,5R)-1-(3-aminopropylsulfonyl)-2,5-dimethylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2S,4S)-1-[3-(benzhydrylamino)propylsulfonyl]-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5R)-9-(4-ethylpiperazin-1-yl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[3-(hydroxymethyl)piperazin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[2-[2-(methoxymethyl)pyrrolidin-1-yl]ethylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2S,4S)-2-methyl-1-[3-(2-methylpropylamino)propylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-[4-(2-piperazin-1-ylethoxy)benzoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-(4-methylpiperazin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-(4-methylpiperidine-4-carbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-(4-piperidin-4-ylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-3-methyl-1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(5R)-9-[(5-methyl-2-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S,4S)-1-[4-(acetamidomethyl)phenyl]sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(1R,5S)-8-[4-(2-aminopropan-2-yl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2R,4S,5R)-1-(3-aminopropylsulfonyl)-2,5-dimethylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2S,4S)-1-[3-(benzhydrylamino)propylsulfonyl]-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5R)-9-(4-ethylpiperazin-1-yl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[3-(hydroxymethyl)piperazin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[2-[2-(methoxymethyl)pyrrolidin-1-yl]ethylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2S,4S)-2-methyl-1-[3-(2-methylpropylamino)propylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-[4-(2-piperazin-1-ylethoxy)benzoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-(4-methylpiperazin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-(4-methylpiperidine-4-carbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-(4-piperidin-4-ylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-3-methyl-1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(5R)-9-[(5-methyl-2-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID157430996
Molecular FormulaC302H432N60O57S11
Molecular Weight6167.88 g/mol
Exact Mass6162.97
IUPAC NameN-[(2S,4S)-1-[4-(acetamidomethyl)phenyl]sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(1R,5S)-8-[4-(2-aminopropan-2-yl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2R,4S,5R)-1-(3-aminopropylsulfonyl)-2,5-dimethylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2S,4S)-1-[3-(benzhydrylamino)propylsulfonyl]-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5R)-9-(4-ethylpiperazin-1-yl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[3-(hydroxymethyl)piperazin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[2-[2-(methoxymethyl)pyrrolidin-1-yl]ethylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2S,4S)-2-methyl-1-[3-(2-methylpropylamino)propylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-[4-(2-piperazin-1-ylethoxy)benzoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-(4-methylpiperazin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-(4-methylpiperidine-4-carbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-(4-piperidin-4-ylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-3-methyl-1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(5R)-9-[(5-methyl-2-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N2CC[C@H](NC(=O)c3cc(C4CC4)on3)C[C@@H]2C)cc1.CC(C)(N)c1ccc(S(=O)(=O)N2[C@@H]3CC[C@H]2CC(NC(=O)c2cc(C4CC4)on2)C3)cc1.CC(C)CNCCCS(=O)(=O)N1CC[C@H](NC(=O)c2cc(C3CC3)on2)C[C@@H]1C.CC1(C(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CCNCC1.CCN1CCN(S(=O)(=O)N2[C@@H]3CCC[C@@H]2CC(NC(=O)c2cc(C4CC4)on2)C3)CC1.CN1CCN(S(=O)(=O)N2[C@@H]3CC[C@H]2CC(NC(=O)c2cc(C4CC4)on2)C3)CC1.COCC1CCCN1CCS(=O)(=O)N1[C@@H]2CC[C@H]1CC(NC(=O)c1cc(C3CC3)on1)C2.C[C@@H]1CN(S(=O)(=O)CCCN)[C@H](C)C[C@@H]1NC(=O)c1cc(C2CC2)on1.C[C@@H]1C[C@H](NC(=O)c2cc(C3CC3)on2)CCN1C(=O)c1ccc(C2CCNCC2)cc1.C[C@@H]1C[C@H](NC(=O)c2cc(C3CC3)on2)CCN1C(=O)c1ccc(OCCN2CCNCC2)cc1.C[C@H]1CN(S(=O)(=O)CC2CCNCC2)CC[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@H]1C[C@@H](NC(=O)c2cc(C3CC3)on2)CCN1S(=O)(=O)CCCNC(c1ccccc1)c1ccccc1.Cc1ccc(S(=O)(=O)N2C3CCC[C@@H]2CC(NC(=O)c2cc(C4CC4)on2)C3)nc1.O=C(NC1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)N1CCNC(CO)C1)c1cc(C2CC2)on1
InChIInChI=1S/C29H36N4O4S.C26H35N5O4.C25H32N4O3.C23H30N4O4S.C22H34N4O5S.C22H28N4O5S.C21H33N5O4S.C21H26N4O4S.C20H34N4O4S.C19H29N5O5S.C19H29N5O4S.C19H30N4O4S.C19H28N4O3.C17H28N4O4S/c1-21-19-25(31-29(34)26-20-27(37-32-26)22-13-14-22)15-17-33(21)38(35,36)18-8-16-30-28(23-9-4-2-5-10-23)24-11-6-3-7-12-24;1-18-16-21(28-25(32)23-17-24(35-29-23)19-2-3-19)8-11-31(18)26(33)20-4-6-22(7-5-20)34-15-14-30-12-9-27-10-13-30;1-16-14-21(27-24(30)22-15-23(32-28-22)19-4-5-19)10-13-29(16)25(31)20-6-2-17(3-7-20)18-8-11-26-12-9-18;1-23(2,24)15-5-9-19(10-6-15)32(29,30)27-17-7-8-18(27)12-16(11-17)25-22(28)20-13-21(31-26-20)14-3-4-14;1-30-14-19-3-2-8-25(19)9-10-32(28,29)26-17-6-7-18(26)12-16(11-17)23-22(27)20-13-21(31-24-20)15-4-5-15;1-14-11-18(24-22(28)20-12-21(31-25-20)17-5-6-17)9-10-26(14)32(29,30)19-7-3-16(4-8-19)13-23-15(2)27;1-2-24-8-10-25(11-9-24)31(28,29)26-17-4-3-5-18(26)13-16(12-17)22-21(27)19-14-20(30-23-19)15-6-7-15;1-13-5-8-20(22-12-13)30(27,28)25-16-3-2-4-17(25)10-15(9-16)23-21(26)18-11-19(29-24-18)14-6-7-14;1-14(2)13-21-8-4-10-29(26,27)24-9-7-17(11-15(24)3)22-20(25)18-12-19(28-23-18)16-5-6-16;25-11-14-10-23(6-5-20-14)30(27,28)24-15-3-4-16(24)8-13(7-15)21-19(26)17-9-18(29-22-17)12-1-2-12;1-22-6-8-23(9-7-22)29(26,27)24-15-4-5-16(24)11-14(10-15)20-19(25)17-12-18(28-21-17)13-2-3-13;1-13-11-23(28(25,26)12-14-4-7-20-8-5-14)9-6-16(13)21-19(24)17-10-18(27-22-17)15-2-3-15;1-19(6-8-20-9-7-19)18(25)23-10-4-14(5-11-23)21-17(24)15-12-16(26-22-15)13-2-3-13;1-11-10-21(26(23,24)7-3-6-18)12(2)8-14(11)19-17(22)15-9-16(25-20-15)13-4-5-13/h2-7,9-12,20-22,25,28,30H,8,13-19H2,1H3,(H,31,34);4-7,17-19,21,27H,2-3,8-16H2,1H3,(H,28,32);2-3,6-7,15-16,18-19,21,26H,4-5,8-14H2,1H3,(H,27,30);5-6,9-10,13-14,16-18H,3-4,7-8,11-12,24H2,1-2H3,(H,25,28);13,15-19H,2-12,14H2,1H3,(H,23,27);3-4,7-8,12,14,17-18H,5-6,9-11,13H2,1-2H3,(H,23,27)(H,24,28);14-18H,2-13H2,1H3,(H,22,27);5,8,11-12,14-17H,2-4,6-7,9-10H2,1H3,(H,23,26);12,14-17,21H,4-11,13H2,1-3H3,(H,22,25);9,12-16,20,25H,1-8,10-11H2,(H,21,26);12-16H,2-11H2,1H3,(H,20,25);10,13-16,20H,2-9,11-12H2,1H3,(H,21,24);12-14,20H,2-11H2,1H3,(H,21,24);9,11-14H,3-8,10,18H2,1-2H3,(H,19,22)/t21-,25-;18-,21-;16-,21-;16?,17-,18+;16?,17-,18+,19?;14-,18-;17-,18-;15?,16-,17?;15-,17-;13?,14?,15-,16+;14?,15-,16+;13-,16+;;11-,12-,14+/m011..0110..0.1/s1
InChIKeyBQNMSSYLCTZKMZ-XAHRJQLRSA-N
XLogP27.68
TPSA1483.54 Ų
H-Bond Donors25
H-Bond Acceptors85
Rotatable Bonds95
Heavy Atoms430
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006167.88
LogP ≤ 527.68
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1085

Analyze N-[(2S,4S)-1-[4-(acetamidomethyl)phenyl]sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(1R,5S)-8-[4-(2-aminopropan-2-yl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2R,4S,5R)-1-(3-aminopropylsulfonyl)-2,5-dimethylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2S,4S)-1-[3-(benzhydrylamino)propylsulfonyl]-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5R)-9-(4-ethylpiperazin-1-yl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[3-(hydroxymethyl)piperazin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[2-[2-(methoxymethyl)pyrrolidin-1-yl]ethylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2S,4S)-2-methyl-1-[3-(2-methylpropylamino)propylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-[4-(2-piperazin-1-ylethoxy)benzoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-(4-methylpiperazin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-(4-methylpiperidine-4-carbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-(4-piperidin-4-ylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-3-methyl-1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(5R)-9-[(5-methyl-2-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S)-1-[4-(acetamidomethyl)phenyl]sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(1R,5S)-8-[4-(2-aminopropan-2-yl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2R,4S,5R)-1-(3-aminopropylsulfonyl)-2,5-dimethylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2S,4S)-1-[3-(benzhydrylamino)propylsulfonyl]-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5R)-9-(4-ethylpiperazin-1-yl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[3-(hydroxymethyl)piperazin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[2-[2-(methoxymethyl)pyrrolidin-1-yl]ethylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2S,4S)-2-methyl-1-[3-(2-methylpropylamino)propylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-[4-(2-piperazin-1-ylethoxy)benzoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-(4-methylpiperazin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-(4-methylpiperidine-4-carbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-(4-piperidin-4-ylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-3-methyl-1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(5R)-9-[(5-methyl-2-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2S,4S)-1-[4-(acetamidomethyl)phenyl]sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(1R,5S)-8-[4-(2-aminopropan-2-yl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2R,4S,5R)-1-(3-aminopropylsulfonyl)-2,5-dimethylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2S,4S)-1-[3-(benzhydrylamino)propylsulfonyl]-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5R)-9-(4-ethylpiperazin-1-yl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[3-(hydroxymethyl)piperazin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[2-[2-(methoxymethyl)pyrrolidin-1-yl]ethylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2S,4S)-2-methyl-1-[3-(2-methylpropylamino)propylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-[4-(2-piperazin-1-ylethoxy)benzoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-(4-methylpiperazin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-(4-methylpiperidine-4-carbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-(4-piperidin-4-ylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-3-methyl-1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(5R)-9-[(5-methyl-2-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide (CID 157430996) is N-[(2S,4S)-1-[4-(acetamidomethyl)phenyl]sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(1R,5S)-8-[4-(2-aminopropan-2-yl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2R,4S,5R)-1-(3-aminopropylsulfonyl)-2,5-dimethylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2S,4S)-1-[3-(benzhydrylamino)propylsulfonyl]-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5R)-9-(4-ethylpiperazin-1-yl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[3-(hydroxymethyl)piperazin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[2-[2-(methoxymethyl)pyrrolidin-1-yl]ethylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2S,4S)-2-methyl-1-[3-(2-methylpropylamino)propylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-[4-(2-piperazin-1-ylethoxy)benzoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-(4-methylpiperazin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-(4-methylpiperidine-4-carbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-(4-piperidin-4-ylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-3-methyl-1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(5R)-9-[(5-methyl-2-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2S,4S)-1-[4-(acetamidomethyl)phenyl]sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(1R,5S)-8-[4-(2-aminopropan-2-yl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2R,4S,5R)-1-(3-aminopropylsulfonyl)-2,5-dimethylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2S,4S)-1-[3-(benzhydrylamino)propylsulfonyl]-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5R)-9-(4-ethylpiperazin-1-yl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[3-(hydroxymethyl)piperazin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[2-[2-(methoxymethyl)pyrrolidin-1-yl]ethylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2S,4S)-2-methyl-1-[3-(2-methylpropylamino)propylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-[4-(2-piperazin-1-ylethoxy)benzoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-(4-methylpiperazin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-(4-methylpiperidine-4-carbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-(4-piperidin-4-ylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-3-methyl-1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(5R)-9-[(5-methyl-2-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2S,4S)-1-[4-(acetamidomethyl)phenyl]sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(1R,5S)-8-[4-(2-aminopropan-2-yl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2R,4S,5R)-1-(3-aminopropylsulfonyl)-2,5-dimethylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2S,4S)-1-[3-(benzhydrylamino)propylsulfonyl]-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5R)-9-(4-ethylpiperazin-1-yl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[3-(hydroxymethyl)piperazin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[2-[2-(methoxymethyl)pyrrolidin-1-yl]ethylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2S,4S)-2-methyl-1-[3-(2-methylpropylamino)propylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-[4-(2-piperazin-1-ylethoxy)benzoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-(4-methylpiperazin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-(4-methylpiperidine-4-carbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-(4-piperidin-4-ylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-3-methyl-1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(5R)-9-[(5-methyl-2-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide is CC(=O)NCc1ccc(S(=O)(=O)N2CC[C@H](NC(=O)c3cc(C4CC4)on3)C[C@@H]2C)cc1.CC(C)(N)c1ccc(S(=O)(=O)N2[C@@H]3CC[C@H]2CC(NC(=O)c2cc(C4CC4)on2)C3)cc1.CC(C)CNCCCS(=O)(=O)N1CC[C@H](NC(=O)c2cc(C3CC3)on2)C[C@@H]1C.CC1(C(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CCNCC1.CCN1CCN(S(=O)(=O)N2[C@@H]3CCC[C@@H]2CC(NC(=O)c2cc(C4CC4)on2)C3)CC1.CN1CCN(S(=O)(=O)N2[C@@H]3CC[C@H]2CC(NC(=O)c2cc(C4CC4)on2)C3)CC1.COCC1CCCN1CCS(=O)(=O)N1[C@@H]2CC[C@H]1CC(NC(=O)c1cc(C3CC3)on1)C2.C[C@@H]1CN(S(=O)(=O)CCCN)[C@H](C)C[C@@H]1NC(=O)c1cc(C2CC2)on1.C[C@@H]1C[C@H](NC(=O)c2cc(C3CC3)on2)CCN1C(=O)c1ccc(C2CCNCC2)cc1.C[C@@H]1C[C@H](NC(=O)c2cc(C3CC3)on2)CCN1C(=O)c1ccc(OCCN2CCNCC2)cc1.C[C@H]1CN(S(=O)(=O)CC2CCNCC2)CC[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@H]1C[C@@H](NC(=O)c2cc(C3CC3)on2)CCN1S(=O)(=O)CCCNC(c1ccccc1)c1ccccc1.Cc1ccc(S(=O)(=O)N2C3CCC[C@@H]2CC(NC(=O)c2cc(C4CC4)on2)C3)nc1.O=C(NC1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)N1CCNC(CO)C1)c1cc(C2CC2)on1.
What is the InChIKey of N-[(2S,4S)-1-[4-(acetamidomethyl)phenyl]sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(1R,5S)-8-[4-(2-aminopropan-2-yl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2R,4S,5R)-1-(3-aminopropylsulfonyl)-2,5-dimethylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2S,4S)-1-[3-(benzhydrylamino)propylsulfonyl]-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5R)-9-(4-ethylpiperazin-1-yl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[3-(hydroxymethyl)piperazin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[2-[2-(methoxymethyl)pyrrolidin-1-yl]ethylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2S,4S)-2-methyl-1-[3-(2-methylpropylamino)propylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-[4-(2-piperazin-1-ylethoxy)benzoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-(4-methylpiperazin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-(4-methylpiperidine-4-carbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-(4-piperidin-4-ylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-3-methyl-1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(5R)-9-[(5-methyl-2-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is BQNMSSYLCTZKMZ-XAHRJQLRSA-N. The full InChI is InChI=1S/C29H36N4O4S.C26H35N5O4.C25H32N4O3.C23H30N4O4S.C22H34N4O5S.C22H28N4O5S.C21H33N5O4S.C21H26N4O4S.C20H34N4O4S.C19H29N5O5S.C19H29N5O4S.C19H30N4O4S.C19H28N4O3.C17H28N4O4S/c1-21-19-25(31-29(34)26-20-27(37-32-26)22-13-14-22)15-17-33(21)38(35,36)18-8-16-30-28(23-9-4-2-5-10-23)24-11-6-3-7-12-24;1-18-16-21(28-25(32)23-17-24(35-29-23)19-2-3-19)8-11-31(18)26(33)20-4-6-22(7-5-20)34-15-14-30-12-9-27-10-13-30;1-16-14-21(27-24(30)22-15-23(32-28-22)19-4-5-19)10-13-29(16)25(31)20-6-2-17(3-7-20)18-8-11-26-12-9-18;1-23(2,24)15-5-9-19(10-6-15)32(29,30)27-17-7-8-18(27)12-16(11-17)25-22(28)20-13-21(31-26-20)14-3-4-14;1-30-14-19-3-2-8-25(19)9-10-32(28,29)26-17-6-7-18(26)12-16(11-17)23-22(27)20-13-21(31-24-20)15-4-5-15;1-14-11-18(24-22(28)20-12-21(31-25-20)17-5-6-17)9-10-26(14)32(29,30)19-7-3-16(4-8-19)13-23-15(2)27;1-2-24-8-10-25(11-9-24)31(28,29)26-17-4-3-5-18(26)13-16(12-17)22-21(27)19-14-20(30-23-19)15-6-7-15;1-13-5-8-20(22-12-13)30(27,28)25-16-3-2-4-17(25)10-15(9-16)23-21(26)18-11-19(29-24-18)14-6-7-14;1-14(2)13-21-8-4-10-29(26,27)24-9-7-17(11-15(24)3)22-20(25)18-12-19(28-23-18)16-5-6-16;25-11-14-10-23(6-5-20-14)30(27,28)24-15-3-4-16(24)8-13(7-15)21-19(26)17-9-18(29-22-17)12-1-2-12;1-22-6-8-23(9-7-22)29(26,27)24-15-4-5-16(24)11-14(10-15)20-19(25)17-12-18(28-21-17)13-2-3-13;1-13-11-23(28(25,26)12-14-4-7-20-8-5-14)9-6-16(13)21-19(24)17-10-18(27-22-17)15-2-3-15;1-19(6-8-20-9-7-19)18(25)23-10-4-14(5-11-23)21-17(24)15-12-16(26-22-15)13-2-3-13;1-11-10-21(26(23,24)7-3-6-18)12(2)8-14(11)19-17(22)15-9-16(25-20-15)13-4-5-13/h2-7,9-12,20-22,25,28,30H,8,13-19H2,1H3,(H,31,34);4-7,17-19,21,27H,2-3,8-16H2,1H3,(H,28,32);2-3,6-7,15-16,18-19,21,26H,4-5,8-14H2,1H3,(H,27,30);5-6,9-10,13-14,16-18H,3-4,7-8,11-12,24H2,1-2H3,(H,25,28);13,15-19H,2-12,14H2,1H3,(H,23,27);3-4,7-8,12,14,17-18H,5-6,9-11,13H2,1-2H3,(H,23,27)(H,24,28);14-18H,2-13H2,1H3,(H,22,27);5,8,11-12,14-17H,2-4,6-7,9-10H2,1H3,(H,23,26);12,14-17,21H,4-11,13H2,1-3H3,(H,22,25);9,12-16,20,25H,1-8,10-11H2,(H,21,26);12-16H,2-11H2,1H3,(H,20,25);10,13-16,20H,2-9,11-12H2,1H3,(H,21,24);12-14,20H,2-11H2,1H3,(H,21,24);9,11-14H,3-8,10,18H2,1-2H3,(H,19,22)/t21-,25-;18-,21-;16-,21-;16?,17-,18+;16?,17-,18+,19?;14-,18-;17-,18-;15?,16-,17?;15-,17-;13?,14?,15-,16+;14?,15-,16+;13-,16+;;11-,12-,14+/m011..0110..0.1/s1.
What are the key properties of N-[(2S,4S)-1-[4-(acetamidomethyl)phenyl]sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(1R,5S)-8-[4-(2-aminopropan-2-yl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2R,4S,5R)-1-(3-aminopropylsulfonyl)-2,5-dimethylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2S,4S)-1-[3-(benzhydrylamino)propylsulfonyl]-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5R)-9-(4-ethylpiperazin-1-yl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[3-(hydroxymethyl)piperazin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[2-[2-(methoxymethyl)pyrrolidin-1-yl]ethylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2S,4S)-2-methyl-1-[3-(2-methylpropylamino)propylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-[4-(2-piperazin-1-ylethoxy)benzoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-(4-methylpiperazin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-(4-methylpiperidine-4-carbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-(4-piperidin-4-ylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-3-methyl-1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(5R)-9-[(5-methyl-2-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide?
N-[(2S,4S)-1-[4-(acetamidomethyl)phenyl]sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(1R,5S)-8-[4-(2-aminopropan-2-yl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2R,4S,5R)-1-(3-aminopropylsulfonyl)-2,5-dimethylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2S,4S)-1-[3-(benzhydrylamino)propylsulfonyl]-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5R)-9-(4-ethylpiperazin-1-yl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[3-(hydroxymethyl)piperazin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[2-[2-(methoxymethyl)pyrrolidin-1-yl]ethylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2S,4S)-2-methyl-1-[3-(2-methylpropylamino)propylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-[4-(2-piperazin-1-ylethoxy)benzoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-(4-methylpiperazin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-(4-methylpiperidine-4-carbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-(4-piperidin-4-ylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-3-methyl-1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(5R)-9-[(5-methyl-2-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 6167.88 g/mol, XLogP of 27.68, 95 rotatable bonds, 25 hydrogen bond donors, and 85 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S)-1-[4-(acetamidomethyl)phenyl]sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(1R,5S)-8-[4-(2-aminopropan-2-yl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2R,4S,5R)-1-(3-aminopropylsulfonyl)-2,5-dimethylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(2S,4S)-1-[3-(benzhydrylamino)propylsulfonyl]-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5R)-9-(4-ethylpiperazin-1-yl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[3-(hydroxymethyl)piperazin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-[2-[2-(methoxymethyl)pyrrolidin-1-yl]ethylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2S,4S)-2-methyl-1-[3-(2-methylpropylamino)propylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-[4-(2-piperazin-1-ylethoxy)benzoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1R,5S)-8-(4-methylpiperazin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-(4-methylpiperidine-4-carbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(2R,4R)-2-methyl-1-(4-piperidin-4-ylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-3-methyl-1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(5R)-9-[(5-methyl-2-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 157430996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).