N-[1-[[(3S)-3-aminobutanoyl]amino]-2,2-dimethylpentan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[(4-aminocyclohexyl)carbamoyl]-2-methylphenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(2S)-2-amino-1-[4-[3-(5-cyclopropyl-1,2-oxazol-3-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one;3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;N-[3-bromo-4-[(4-methylcyclohexyl)carbamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-ethyl-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

C150H194BrN25O22 — CID 160781641

IUPACN-[1-[[(3S)-3-aminobutanoyl]amino]-2,2-dimethylpentan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[(4-aminocyclohexyl)carbamoyl]-2-methylphenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(2S)-2-amino-1-[4-[3-(5-cyclopropyl-1,2-oxazol-3-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one;3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;N-[3-bromo-4-[(4-methylcyclohexyl)carbamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-ethyl-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESCC(CC(=O)c1cc(C2CC2)on1)C1CCN(C(=O)[C@H](C)N)CC1.CC1CCC(NC(=O)c2ccc(NC(=O)c3cc(C4CC4)on3)cc2Br)CC1.CCC(NC(=O)c1cc(C2CC2)on1)C(C)(C)CNC(=O)C[C@H](C)N.CCc1ccc(NC(=O)c2cccc(C(NC(=O)c3cc(C4CC4)on3)C3CCCCC3)c2)cn1.COc1ccc(NC(=O)c2cccc(C(NC(=O)c3cc(C4CC4)on3)C3CCCCC3)c2)cn1.C[C@H](N)C(=O)N1CCC(CCC(=O)c2cc(C3CC3)on2)CC1.Cc1cc(C(=O)NC2CCC(N)CC2)ccc1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C28H32N4O3.C27H30N4O4.C21H24BrN3O3.C21H26N4O3.C18H30N4O3.C18H27N3O3.C17H25N3O3/c1-2-22-13-14-23(17-29-22)30-27(33)21-10-6-9-20(15-21)26(19-7-4-3-5-8-19)31-28(34)24-16-25(35-32-24)18-11-12-18;1-34-24-13-12-21(16-28-24)29-26(32)20-9-5-8-19(14-20)25(18-6-3-2-4-7-18)30-27(33)22-15-23(35-31-22)17-10-11-17;1-12-2-6-14(7-3-12)23-20(26)16-9-8-15(10-17(16)22)24-21(27)18-11-19(28-25-18)13-4-5-13;1-12-10-14(20(26)23-16-7-5-15(22)6-8-16)4-9-17(12)24-21(27)18-11-19(28-25-18)13-2-3-13;1-5-15(18(3,4)10-20-16(23)8-11(2)19)21-17(24)13-9-14(25-22-13)12-6-7-12;1-11(13-5-7-21(8-6-13)18(23)12(2)19)9-16(22)15-10-17(24-20-15)14-3-4-14;1-11(18)17(22)20-8-6-12(7-9-20)2-5-15(21)14-10-16(23-19-14)13-3-4-13/h6,9-10,13-19,26H,2-5,7-8,11-12H2,1H3,(H,30,33)(H,31,34);5,8-9,12-18,25H,2-4,6-7,10-11H2,1H3,(H,29,32)(H,30,33);8-14H,2-7H2,1H3,(H,23,26)(H,24,27);4,9-11,13,15-16H,2-3,5-8,22H2,1H3,(H,23,26)(H,24,27);9,11-12,15H,5-8,10,19H2,1-4H3,(H,20,23)(H,21,24);10-14H,3-9,19H2,1-2H3;10-13H,2-9,18H2,1H3/t;;;;11-,15?;11?,12-;11-/m....000/s1
InChIKeySAQUVZAXWVRQRB-LVDZFKTESA-N
MW2779.26 g/mol
LogP25.45
Rot. Bonds47

About N-[1-[[(3S)-3-aminobutanoyl]amino]-2,2-dimethylpentan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[(4-aminocyclohexyl)carbamoyl]-2-methylphenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(2S)-2-amino-1-[4-[3-(5-cyclopropyl-1,2-oxazol-3-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one;3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;N-[3-bromo-4-[(4-methylcyclohexyl)carbamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-ethyl-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-[1-[[(3S)-3-aminobutanoyl]amino]-2,2-dimethylpentan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[(4-aminocyclohexyl)carbamoyl]-2-methylphenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(2S)-2-amino-1-[4-[3-(5-cyclopropyl-1,2-oxazol-3-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one;3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;N-[3-bromo-4-[(4-methylcyclohexyl)carbamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-ethyl-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 160781641) has the molecular formula C150H194BrN25O22 and a molecular weight of 2779.26 g/mol. Its IUPAC name is N-[1-[[(3S)-3-aminobutanoyl]amino]-2,2-dimethylpentan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[(4-aminocyclohexyl)carbamoyl]-2-methylphenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(2S)-2-amino-1-[4-[3-(5-cyclopropyl-1,2-oxazol-3-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one;3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;N-[3-bromo-4-[(4-methylcyclohexyl)carbamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-ethyl-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[(3S)-3-aminobutanoyl]amino]-2,2-dimethylpentan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[(4-aminocyclohexyl)carbamoyl]-2-methylphenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(2S)-2-amino-1-[4-[3-(5-cyclopropyl-1,2-oxazol-3-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one;3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;N-[3-bromo-4-[(4-methylcyclohexyl)carbamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-ethyl-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID160781641
Molecular FormulaC150H194BrN25O22
Molecular Weight2779.26 g/mol
Exact Mass2776.40
IUPAC NameN-[1-[[(3S)-3-aminobutanoyl]amino]-2,2-dimethylpentan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[(4-aminocyclohexyl)carbamoyl]-2-methylphenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(2S)-2-amino-1-[4-[3-(5-cyclopropyl-1,2-oxazol-3-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one;3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;N-[3-bromo-4-[(4-methylcyclohexyl)carbamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-ethyl-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESCC(CC(=O)c1cc(C2CC2)on1)C1CCN(C(=O)[C@H](C)N)CC1.CC1CCC(NC(=O)c2ccc(NC(=O)c3cc(C4CC4)on3)cc2Br)CC1.CCC(NC(=O)c1cc(C2CC2)on1)C(C)(C)CNC(=O)C[C@H](C)N.CCc1ccc(NC(=O)c2cccc(C(NC(=O)c3cc(C4CC4)on3)C3CCCCC3)c2)cn1.COc1ccc(NC(=O)c2cccc(C(NC(=O)c3cc(C4CC4)on3)C3CCCCC3)c2)cn1.C[C@H](N)C(=O)N1CCC(CCC(=O)c2cc(C3CC3)on2)CC1.Cc1cc(C(=O)NC2CCC(N)CC2)ccc1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C28H32N4O3.C27H30N4O4.C21H24BrN3O3.C21H26N4O3.C18H30N4O3.C18H27N3O3.C17H25N3O3/c1-2-22-13-14-23(17-29-22)30-27(33)21-10-6-9-20(15-21)26(19-7-4-3-5-8-19)31-28(34)24-16-25(35-32-24)18-11-12-18;1-34-24-13-12-21(16-28-24)29-26(32)20-9-5-8-19(14-20)25(18-6-3-2-4-7-18)30-27(33)22-15-23(35-31-22)17-10-11-17;1-12-2-6-14(7-3-12)23-20(26)16-9-8-15(10-17(16)22)24-21(27)18-11-19(28-25-18)13-4-5-13;1-12-10-14(20(26)23-16-7-5-15(22)6-8-16)4-9-17(12)24-21(27)18-11-19(28-25-18)13-2-3-13;1-5-15(18(3,4)10-20-16(23)8-11(2)19)21-17(24)13-9-14(25-22-13)12-6-7-12;1-11(13-5-7-21(8-6-13)18(23)12(2)19)9-16(22)15-10-17(24-20-15)14-3-4-14;1-11(18)17(22)20-8-6-12(7-9-20)2-5-15(21)14-10-16(23-19-14)13-3-4-13/h6,9-10,13-19,26H,2-5,7-8,11-12H2,1H3,(H,30,33)(H,31,34);5,8-9,12-18,25H,2-4,6-7,10-11H2,1H3,(H,29,32)(H,30,33);8-14H,2-7H2,1H3,(H,23,26)(H,24,27);4,9-11,13,15-16H,2-3,5-8,22H2,1H3,(H,23,26)(H,24,27);9,11-12,15H,5-8,10,19H2,1-4H3,(H,20,23)(H,21,24);10-14H,3-9,19H2,1-2H3;10-13H,2-9,18H2,1H3/t;;;;11-,15?;11?,12-;11-/m....000/s1
InChIKeySAQUVZAXWVRQRB-LVDZFKTESA-N
XLogP25.45
TPSA687.06 Ų
H-Bond Donors14
H-Bond Acceptors35
Rotatable Bonds47
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002779.26
LogP ≤ 525.45
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1035

Analyze N-[1-[[(3S)-3-aminobutanoyl]amino]-2,2-dimethylpentan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[(4-aminocyclohexyl)carbamoyl]-2-methylphenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(2S)-2-amino-1-[4-[3-(5-cyclopropyl-1,2-oxazol-3-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one;3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;N-[3-bromo-4-[(4-methylcyclohexyl)carbamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-ethyl-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[3-(3-aminopropanoylamino)-2-methylpropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[1-(3-aminopropanoylamino)pentan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-(1-cyclohexyl-3-methylbutyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(3-methylphenyl)methoxymethyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 157521183
N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-phenoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 158728251
5-cyclopropyl-N-[(3S,4S)-1-[(3,5-dibromo-4-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[[4-(dimethylamino)phenyl]methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-4-methyl-1-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;N-[(3S,5R)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 159407901
N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-phenylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-phenylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-(butylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-(cyclohexylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[2-methyl-4-(piperidin-4-ylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide
CID 159575421
(3S,6S,9R,12R)-6-[(5-bromo-1-methoxyindol-3-yl)methyl]-3-butan-2-yl-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6R,9R,12R)-3-butan-2-yl-6-(1H-indole-3-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxy-2,3-dihydroindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6S,9R,12R)-3-[(2R)-butan-2-yl]-6-[[2-(3-methoxy-5-methylphenyl)-1H-indol-3-yl]methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6R,9R,12R)-3-[(2R)-butan-2-yl]-6-(1-methylindole-5-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
CID 161083299
N-[4-[(3-aminocyclobutyl)carbamoyl]-2-bromophenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[1-amino-3-(1-methylpiperidin-4-yl)-2-oxopropyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-[(3-methylcyclohexyl)carbamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-(4-tert-butylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[[3-(cyclobutylcarbamoyl)phenyl]-cyclohexylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(cyclohexylmethylcarbamoyl)-2-methylphenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 161692848

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(3S)-3-aminobutanoyl]amino]-2,2-dimethylpentan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[(4-aminocyclohexyl)carbamoyl]-2-methylphenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(2S)-2-amino-1-[4-[3-(5-cyclopropyl-1,2-oxazol-3-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one;3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;N-[3-bromo-4-[(4-methylcyclohexyl)carbamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-ethyl-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[[(3S)-3-aminobutanoyl]amino]-2,2-dimethylpentan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[(4-aminocyclohexyl)carbamoyl]-2-methylphenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(2S)-2-amino-1-[4-[3-(5-cyclopropyl-1,2-oxazol-3-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one;3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;N-[3-bromo-4-[(4-methylcyclohexyl)carbamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-ethyl-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 160781641) is N-[1-[[(3S)-3-aminobutanoyl]amino]-2,2-dimethylpentan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[(4-aminocyclohexyl)carbamoyl]-2-methylphenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(2S)-2-amino-1-[4-[3-(5-cyclopropyl-1,2-oxazol-3-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one;3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;N-[3-bromo-4-[(4-methylcyclohexyl)carbamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-ethyl-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[[(3S)-3-aminobutanoyl]amino]-2,2-dimethylpentan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[(4-aminocyclohexyl)carbamoyl]-2-methylphenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(2S)-2-amino-1-[4-[3-(5-cyclopropyl-1,2-oxazol-3-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one;3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;N-[3-bromo-4-[(4-methylcyclohexyl)carbamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-ethyl-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[[(3S)-3-aminobutanoyl]amino]-2,2-dimethylpentan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[(4-aminocyclohexyl)carbamoyl]-2-methylphenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(2S)-2-amino-1-[4-[3-(5-cyclopropyl-1,2-oxazol-3-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one;3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;N-[3-bromo-4-[(4-methylcyclohexyl)carbamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-ethyl-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is CC(CC(=O)c1cc(C2CC2)on1)C1CCN(C(=O)[C@H](C)N)CC1.CC1CCC(NC(=O)c2ccc(NC(=O)c3cc(C4CC4)on3)cc2Br)CC1.CCC(NC(=O)c1cc(C2CC2)on1)C(C)(C)CNC(=O)C[C@H](C)N.CCc1ccc(NC(=O)c2cccc(C(NC(=O)c3cc(C4CC4)on3)C3CCCCC3)c2)cn1.COc1ccc(NC(=O)c2cccc(C(NC(=O)c3cc(C4CC4)on3)C3CCCCC3)c2)cn1.C[C@H](N)C(=O)N1CCC(CCC(=O)c2cc(C3CC3)on2)CC1.Cc1cc(C(=O)NC2CCC(N)CC2)ccc1NC(=O)c1cc(C2CC2)on1.
What is the InChIKey of N-[1-[[(3S)-3-aminobutanoyl]amino]-2,2-dimethylpentan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[(4-aminocyclohexyl)carbamoyl]-2-methylphenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(2S)-2-amino-1-[4-[3-(5-cyclopropyl-1,2-oxazol-3-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one;3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;N-[3-bromo-4-[(4-methylcyclohexyl)carbamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-ethyl-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is SAQUVZAXWVRQRB-LVDZFKTESA-N. The full InChI is InChI=1S/C28H32N4O3.C27H30N4O4.C21H24BrN3O3.C21H26N4O3.C18H30N4O3.C18H27N3O3.C17H25N3O3/c1-2-22-13-14-23(17-29-22)30-27(33)21-10-6-9-20(15-21)26(19-7-4-3-5-8-19)31-28(34)24-16-25(35-32-24)18-11-12-18;1-34-24-13-12-21(16-28-24)29-26(32)20-9-5-8-19(14-20)25(18-6-3-2-4-7-18)30-27(33)22-15-23(35-31-22)17-10-11-17;1-12-2-6-14(7-3-12)23-20(26)16-9-8-15(10-17(16)22)24-21(27)18-11-19(28-25-18)13-4-5-13;1-12-10-14(20(26)23-16-7-5-15(22)6-8-16)4-9-17(12)24-21(27)18-11-19(28-25-18)13-2-3-13;1-5-15(18(3,4)10-20-16(23)8-11(2)19)21-17(24)13-9-14(25-22-13)12-6-7-12;1-11(13-5-7-21(8-6-13)18(23)12(2)19)9-16(22)15-10-17(24-20-15)14-3-4-14;1-11(18)17(22)20-8-6-12(7-9-20)2-5-15(21)14-10-16(23-19-14)13-3-4-13/h6,9-10,13-19,26H,2-5,7-8,11-12H2,1H3,(H,30,33)(H,31,34);5,8-9,12-18,25H,2-4,6-7,10-11H2,1H3,(H,29,32)(H,30,33);8-14H,2-7H2,1H3,(H,23,26)(H,24,27);4,9-11,13,15-16H,2-3,5-8,22H2,1H3,(H,23,26)(H,24,27);9,11-12,15H,5-8,10,19H2,1-4H3,(H,20,23)(H,21,24);10-14H,3-9,19H2,1-2H3;10-13H,2-9,18H2,1H3/t;;;;11-,15?;11?,12-;11-/m....000/s1.
What are the key properties of N-[1-[[(3S)-3-aminobutanoyl]amino]-2,2-dimethylpentan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[(4-aminocyclohexyl)carbamoyl]-2-methylphenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(2S)-2-amino-1-[4-[3-(5-cyclopropyl-1,2-oxazol-3-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one;3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;N-[3-bromo-4-[(4-methylcyclohexyl)carbamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-ethyl-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[1-[[(3S)-3-aminobutanoyl]amino]-2,2-dimethylpentan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[(4-aminocyclohexyl)carbamoyl]-2-methylphenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(2S)-2-amino-1-[4-[3-(5-cyclopropyl-1,2-oxazol-3-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one;3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;N-[3-bromo-4-[(4-methylcyclohexyl)carbamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-ethyl-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 2779.26 g/mol, XLogP of 25.45, 47 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(3S)-3-aminobutanoyl]amino]-2,2-dimethylpentan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[(4-aminocyclohexyl)carbamoyl]-2-methylphenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(2S)-2-amino-1-[4-[3-(5-cyclopropyl-1,2-oxazol-3-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one;3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;N-[3-bromo-4-[(4-methylcyclohexyl)carbamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-ethyl-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 160781641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).