1-acetyl-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2,3-dihydroindole-2-carboxamide;N-benzyl-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;benzyl N-[(4S)-1-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]-3-oxo-4,5-dihydro-2H-1-benzazepin-4-yl]carbamate;2-[3,6-dioxo-2-(pyridin-4-ylmethyl)piperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;methane;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-3,5-dioxo-1-phenyl-1,2,4-triazolidine-4-carboxamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide

C173H182F3N31O28 — CID 159359651

IUPAC1-acetyl-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2,3-dihydroindole-2-carboxamide;N-benzyl-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;benzyl N-[(4S)-1-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]-3-oxo-4,5-dihydro-2H-1-benzazepin-4-yl]carbamate;2-[3,6-dioxo-2-(pyridin-4-ylmethyl)piperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;methane;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-3,5-dioxo-1-phenyl-1,2,4-triazolidine-4-carboxamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide
SMILESC.CC(=O)N1c2ccccc2CC1C(=O)N[C@H](C(=O)c1nnc(Cc2cccc(C)c2)o1)C(C)C.CC(C)[C@H](NC(=O)N1CC(=O)[C@@H](NC(=O)OCc2ccccc2)Cc2ccccc21)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN(Cc3ccccc3)C(=O)c3ccc[nH]3)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)CNC(=O)C3Cc3ccncc3)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)CNC(c4ccccc4)c4ccccc43)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)n3c(=O)[nH]n(-c4ccccc4)c3=O)C(C)C)o2)c1
InChIInChI=1S/C34H32F3N5O6.C32H33N5O4.C29H31N5O4.C27H30N6O5.C26H28N4O4.C24H24N6O5.CH4/c1-20(2)29(30(44)31-39-28(48-41-31)16-22-11-8-13-24(15-22)34(35,36)37)40-32(45)42-18-27(43)25(17-23-12-6-7-14-26(23)42)38-33(46)47-19-21-9-4-3-5-10-21;1-20(2)29(31(40)32-36-35-27(41-32)17-22-11-9-10-21(3)16-22)34-26(38)19-37-25-15-8-7-14-24(25)30(33-18-28(37)39)23-12-5-4-6-13-23;1-19(2)26(27(36)28-33-32-25(38-28)16-22-12-7-9-20(3)15-22)31-24(35)18-34(17-21-10-5-4-6-11-21)29(37)23-13-8-14-30-23;1-16(2)24(25(36)27-32-31-22(38-27)13-19-6-4-5-17(3)11-19)30-21(34)15-33-20(26(37)29-14-23(33)35)12-18-7-9-28-10-8-18;1-15(2)23(24(32)26-29-28-22(34-26)13-18-9-7-8-16(3)12-18)27-25(33)21-14-19-10-5-6-11-20(19)30(21)17(4)31;1-14(2)19(20(31)21-27-26-18(35-21)13-16-9-7-8-15(3)12-16)25-22(32)29-23(33)28-30(24(29)34)17-10-5-4-6-11-17;/h3-15,20,25,29H,16-19H2,1-2H3,(H,38,46)(H,40,45);4-16,20,29-30,33H,17-19H2,1-3H3,(H,34,38);4-15,19,26,30H,16-18H2,1-3H3,(H,31,35);4-11,16,20,24H,12-15H2,1-3H3,(H,29,37)(H,30,34);5-12,15,21,23H,13-14H2,1-4H3,(H,27,33);4-12,14,19H,13H2,1-3H3,(H,25,32)(H,28,33);1H4/t25-,29-;29-,30?;26-;20?,24-;21?,23-;19-;/m000000./s1
InChIKeyLIJHMDSXIAREBB-UDYXCGMISA-N
MW3200.54 g/mol
LogP20.74
Rot. Bonds53

About 1-acetyl-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2,3-dihydroindole-2-carboxamide;N-benzyl-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;benzyl N-[(4S)-1-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]-3-oxo-4,5-dihydro-2H-1-benzazepin-4-yl]carbamate;2-[3,6-dioxo-2-(pyridin-4-ylmethyl)piperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;methane;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-3,5-dioxo-1-phenyl-1,2,4-triazolidine-4-carboxamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide

1-acetyl-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2,3-dihydroindole-2-carboxamide;N-benzyl-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;benzyl N-[(4S)-1-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]-3-oxo-4,5-dihydro-2H-1-benzazepin-4-yl]carbamate;2-[3,6-dioxo-2-(pyridin-4-ylmethyl)piperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;methane;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-3,5-dioxo-1-phenyl-1,2,4-triazolidine-4-carboxamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide (PubChem CID 159359651) has the molecular formula C173H182F3N31O28 and a molecular weight of 3200.54 g/mol. Its IUPAC name is 1-acetyl-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2,3-dihydroindole-2-carboxamide;N-benzyl-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;benzyl N-[(4S)-1-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]-3-oxo-4,5-dihydro-2H-1-benzazepin-4-yl]carbamate;2-[3,6-dioxo-2-(pyridin-4-ylmethyl)piperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;methane;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-3,5-dioxo-1-phenyl-1,2,4-triazolidine-4-carboxamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide.

Molecular Properties

Compound Name1-acetyl-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2,3-dihydroindole-2-carboxamide;N-benzyl-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;benzyl N-[(4S)-1-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]-3-oxo-4,5-dihydro-2H-1-benzazepin-4-yl]carbamate;2-[3,6-dioxo-2-(pyridin-4-ylmethyl)piperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;methane;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-3,5-dioxo-1-phenyl-1,2,4-triazolidine-4-carboxamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide
PubChem CID159359651
Molecular FormulaC173H182F3N31O28
Molecular Weight3200.54 g/mol
Exact Mass3198.37
IUPAC Name1-acetyl-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2,3-dihydroindole-2-carboxamide;N-benzyl-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;benzyl N-[(4S)-1-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]-3-oxo-4,5-dihydro-2H-1-benzazepin-4-yl]carbamate;2-[3,6-dioxo-2-(pyridin-4-ylmethyl)piperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;methane;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-3,5-dioxo-1-phenyl-1,2,4-triazolidine-4-carboxamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide
SMILESC.CC(=O)N1c2ccccc2CC1C(=O)N[C@H](C(=O)c1nnc(Cc2cccc(C)c2)o1)C(C)C.CC(C)[C@H](NC(=O)N1CC(=O)[C@@H](NC(=O)OCc2ccccc2)Cc2ccccc21)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN(Cc3ccccc3)C(=O)c3ccc[nH]3)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)CNC(=O)C3Cc3ccncc3)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)CNC(c4ccccc4)c4ccccc43)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)n3c(=O)[nH]n(-c4ccccc4)c3=O)C(C)C)o2)c1
InChIInChI=1S/C34H32F3N5O6.C32H33N5O4.C29H31N5O4.C27H30N6O5.C26H28N4O4.C24H24N6O5.CH4/c1-20(2)29(30(44)31-39-28(48-41-31)16-22-11-8-13-24(15-22)34(35,36)37)40-32(45)42-18-27(43)25(17-23-12-6-7-14-26(23)42)38-33(46)47-19-21-9-4-3-5-10-21;1-20(2)29(31(40)32-36-35-27(41-32)17-22-11-9-10-21(3)16-22)34-26(38)19-37-25-15-8-7-14-24(25)30(33-18-28(37)39)23-12-5-4-6-13-23;1-19(2)26(27(36)28-33-32-25(38-28)16-22-12-7-9-20(3)15-22)31-24(35)18-34(17-21-10-5-4-6-11-21)29(37)23-13-8-14-30-23;1-16(2)24(25(36)27-32-31-22(38-27)13-19-6-4-5-17(3)11-19)30-21(34)15-33-20(26(37)29-14-23(33)35)12-18-7-9-28-10-8-18;1-15(2)23(24(32)26-29-28-22(34-26)13-18-9-7-8-16(3)12-18)27-25(33)21-14-19-10-5-6-11-20(19)30(21)17(4)31;1-14(2)19(20(31)21-27-26-18(35-21)13-16-9-7-8-15(3)12-16)25-22(32)29-23(33)28-30(24(29)34)17-10-5-4-6-11-17;/h3-15,20,25,29H,16-19H2,1-2H3,(H,38,46)(H,40,45);4-16,20,29-30,33H,17-19H2,1-3H3,(H,34,38);4-15,19,26,30H,16-18H2,1-3H3,(H,31,35);4-11,16,20,24H,12-15H2,1-3H3,(H,29,37)(H,30,34);5-12,15,21,23H,13-14H2,1-4H3,(H,27,33);4-12,14,19H,13H2,1-3H3,(H,25,32)(H,28,33);1H4/t25-,29-;29-,30?;26-;20?,24-;21?,23-;19-;/m000000./s1
InChIKeyLIJHMDSXIAREBB-UDYXCGMISA-N
XLogP20.74
TPSA780.02 Ų
H-Bond Donors11
H-Bond Acceptors44
Rotatable Bonds53
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003200.54
LogP ≤ 520.74
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1044

Analyze 1-acetyl-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2,3-dihydroindole-2-carboxamide;N-benzyl-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;benzyl N-[(4S)-1-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]-3-oxo-4,5-dihydro-2H-1-benzazepin-4-yl]carbamate;2-[3,6-dioxo-2-(pyridin-4-ylmethyl)piperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;methane;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-3,5-dioxo-1-phenyl-1,2,4-triazolidine-4-carboxamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide with MolForge

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Related Compounds

benzyl N-[(4S)-2-[2-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]amino]-2-oxoethyl]-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]carbamate;benzyl N-[1-[2-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]amino]-2-oxoethyl]-2-oxopyrrolidin-3-yl]carbamate;2-[3,6-dioxo-2-(pyridin-4-ylmethyl)piperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]pyridine-3-carboxamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
CID 157446941
CID 157501709
CID 157501709
CID 157550627
CID 157550627
CID 157805731
CID 157805731
benzyl (3R)-3-benzyl-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxopiperazine-1-carboxylate;2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-[(5S)-3,5-dibenzyl-2,4-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;2-[4-[4-(dimethylamino)phenyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide
CID 158330524
2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;methyl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-1-yl)acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 158411700
2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;methyl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[(5R)-2-oxo-5-phenylpiperazin-1-yl]acetamide;propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 158417294
CID 158689561
CID 158689561
CID 158741347
CID 158741347
2-(3-amino-7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-2-yl]acetamide;2-[benzyl(benzylcarbamoyl)amino]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[(5R)-2-oxo-5-phenylpiperazin-1-yl]acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)acetamide
CID 159229147
CID 160511706
CID 160511706
CID 161557645
CID 161557645

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2,3-dihydroindole-2-carboxamide;N-benzyl-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;benzyl N-[(4S)-1-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]-3-oxo-4,5-dihydro-2H-1-benzazepin-4-yl]carbamate;2-[3,6-dioxo-2-(pyridin-4-ylmethyl)piperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;methane;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-3,5-dioxo-1-phenyl-1,2,4-triazolidine-4-carboxamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide?
The IUPAC name of 1-acetyl-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2,3-dihydroindole-2-carboxamide;N-benzyl-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;benzyl N-[(4S)-1-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]-3-oxo-4,5-dihydro-2H-1-benzazepin-4-yl]carbamate;2-[3,6-dioxo-2-(pyridin-4-ylmethyl)piperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;methane;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-3,5-dioxo-1-phenyl-1,2,4-triazolidine-4-carboxamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide (CID 159359651) is 1-acetyl-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2,3-dihydroindole-2-carboxamide;N-benzyl-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;benzyl N-[(4S)-1-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]-3-oxo-4,5-dihydro-2H-1-benzazepin-4-yl]carbamate;2-[3,6-dioxo-2-(pyridin-4-ylmethyl)piperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;methane;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-3,5-dioxo-1-phenyl-1,2,4-triazolidine-4-carboxamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide.
What is the SMILES notation for 1-acetyl-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2,3-dihydroindole-2-carboxamide;N-benzyl-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;benzyl N-[(4S)-1-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]-3-oxo-4,5-dihydro-2H-1-benzazepin-4-yl]carbamate;2-[3,6-dioxo-2-(pyridin-4-ylmethyl)piperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;methane;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-3,5-dioxo-1-phenyl-1,2,4-triazolidine-4-carboxamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide?
The canonical SMILES for 1-acetyl-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2,3-dihydroindole-2-carboxamide;N-benzyl-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;benzyl N-[(4S)-1-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]-3-oxo-4,5-dihydro-2H-1-benzazepin-4-yl]carbamate;2-[3,6-dioxo-2-(pyridin-4-ylmethyl)piperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;methane;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-3,5-dioxo-1-phenyl-1,2,4-triazolidine-4-carboxamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide is C.CC(=O)N1c2ccccc2CC1C(=O)N[C@H](C(=O)c1nnc(Cc2cccc(C)c2)o1)C(C)C.CC(C)[C@H](NC(=O)N1CC(=O)[C@@H](NC(=O)OCc2ccccc2)Cc2ccccc21)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN(Cc3ccccc3)C(=O)c3ccc[nH]3)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)CNC(=O)C3Cc3ccncc3)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)CNC(c4ccccc4)c4ccccc43)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)n3c(=O)[nH]n(-c4ccccc4)c3=O)C(C)C)o2)c1.
What is the InChIKey of 1-acetyl-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2,3-dihydroindole-2-carboxamide;N-benzyl-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;benzyl N-[(4S)-1-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]-3-oxo-4,5-dihydro-2H-1-benzazepin-4-yl]carbamate;2-[3,6-dioxo-2-(pyridin-4-ylmethyl)piperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;methane;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-3,5-dioxo-1-phenyl-1,2,4-triazolidine-4-carboxamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide?
The InChIKey is LIJHMDSXIAREBB-UDYXCGMISA-N. The full InChI is InChI=1S/C34H32F3N5O6.C32H33N5O4.C29H31N5O4.C27H30N6O5.C26H28N4O4.C24H24N6O5.CH4/c1-20(2)29(30(44)31-39-28(48-41-31)16-22-11-8-13-24(15-22)34(35,36)37)40-32(45)42-18-27(43)25(17-23-12-6-7-14-26(23)42)38-33(46)47-19-21-9-4-3-5-10-21;1-20(2)29(31(40)32-36-35-27(41-32)17-22-11-9-10-21(3)16-22)34-26(38)19-37-25-15-8-7-14-24(25)30(33-18-28(37)39)23-12-5-4-6-13-23;1-19(2)26(27(36)28-33-32-25(38-28)16-22-12-7-9-20(3)15-22)31-24(35)18-34(17-21-10-5-4-6-11-21)29(37)23-13-8-14-30-23;1-16(2)24(25(36)27-32-31-22(38-27)13-19-6-4-5-17(3)11-19)30-21(34)15-33-20(26(37)29-14-23(33)35)12-18-7-9-28-10-8-18;1-15(2)23(24(32)26-29-28-22(34-26)13-18-9-7-8-16(3)12-18)27-25(33)21-14-19-10-5-6-11-20(19)30(21)17(4)31;1-14(2)19(20(31)21-27-26-18(35-21)13-16-9-7-8-15(3)12-16)25-22(32)29-23(33)28-30(24(29)34)17-10-5-4-6-11-17;/h3-15,20,25,29H,16-19H2,1-2H3,(H,38,46)(H,40,45);4-16,20,29-30,33H,17-19H2,1-3H3,(H,34,38);4-15,19,26,30H,16-18H2,1-3H3,(H,31,35);4-11,16,20,24H,12-15H2,1-3H3,(H,29,37)(H,30,34);5-12,15,21,23H,13-14H2,1-4H3,(H,27,33);4-12,14,19H,13H2,1-3H3,(H,25,32)(H,28,33);1H4/t25-,29-;29-,30?;26-;20?,24-;21?,23-;19-;/m000000./s1.
What are the key properties of 1-acetyl-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2,3-dihydroindole-2-carboxamide;N-benzyl-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;benzyl N-[(4S)-1-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]-3-oxo-4,5-dihydro-2H-1-benzazepin-4-yl]carbamate;2-[3,6-dioxo-2-(pyridin-4-ylmethyl)piperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;methane;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-3,5-dioxo-1-phenyl-1,2,4-triazolidine-4-carboxamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide?
1-acetyl-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2,3-dihydroindole-2-carboxamide;N-benzyl-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;benzyl N-[(4S)-1-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]-3-oxo-4,5-dihydro-2H-1-benzazepin-4-yl]carbamate;2-[3,6-dioxo-2-(pyridin-4-ylmethyl)piperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;methane;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-3,5-dioxo-1-phenyl-1,2,4-triazolidine-4-carboxamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide has a molecular weight of 3200.54 g/mol, XLogP of 20.74, 53 rotatable bonds, 11 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2,3-dihydroindole-2-carboxamide;N-benzyl-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;benzyl N-[(4S)-1-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]-3-oxo-4,5-dihydro-2H-1-benzazepin-4-yl]carbamate;2-[3,6-dioxo-2-(pyridin-4-ylmethyl)piperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;methane;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-3,5-dioxo-1-phenyl-1,2,4-triazolidine-4-carboxamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide is sourced from PubChem (CID 159359651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).