(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide

C107H149N23O13 — CID 159513147

IUPAC(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cn(C)nc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cn[nH]c1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cnn(C)c1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1onc(C)c1-c1ccccc1)C1CCCCC1
InChIInChI=1S/2C27H38N6O3.C27H37N5O4.C26H36N6O3/c1-18(28-2)25(34)31-23(19-11-6-4-7-12-19)27(36)33-16-10-15-22(33)26(35)30-21-17-29-32(3)24(21)20-13-8-5-9-14-20;1-18(28-2)25(34)30-24(20-13-8-5-9-14-20)27(36)33-16-10-15-22(33)26(35)29-21-17-32(3)31-23(21)19-11-6-4-7-12-19;1-17-22(19-11-6-4-7-12-19)26(36-31-17)30-25(34)21-15-10-16-32(21)27(35)23(20-13-8-5-9-14-20)29-24(33)18(2)28-3;1-17(27-2)24(33)30-23(19-12-7-4-8-13-19)26(35)32-15-9-14-21(32)25(34)29-20-16-28-31-22(20)18-10-5-3-6-11-18/h5,8-9,13-14,17-19,22-23,28H,4,6-7,10-12,15-16H2,1-3H3,(H,30,35)(H,31,34);4,6-7,11-12,17-18,20,22,24,28H,5,8-10,13-16H2,1-3H3,(H,29,35)(H,30,34);4,6-7,11-12,18,20-21,23,28H,5,8-10,13-16H2,1-3H3,(H,29,33)(H,30,34);3,5-6,10-11,16-17,19,21,23,27H,4,7-9,12-15H2,1-2H3,(H,28,31)(H,29,34)(H,30,33)/t18-,22-,23-;18-,22-,24-;18-,21-,23-;17-,21-,23-/m0000/s1
InChIKeyMAVXTTYBVORJDL-MSMJTHTPSA-N
MW1965.52 g/mol
LogP11.31
Rot. Bonds32

About (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide

(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide (PubChem CID 159513147) has the molecular formula C107H149N23O13 and a molecular weight of 1965.52 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide
PubChem CID159513147
Molecular FormulaC107H149N23O13
Molecular Weight1965.52 g/mol
Exact Mass1964.17
IUPAC Name(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cn(C)nc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cn[nH]c1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cnn(C)c1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1onc(C)c1-c1ccccc1)C1CCCCC1
InChIInChI=1S/2C27H38N6O3.C27H37N5O4.C26H36N6O3/c1-18(28-2)25(34)31-23(19-11-6-4-7-12-19)27(36)33-16-10-15-22(33)26(35)30-21-17-29-32(3)24(21)20-13-8-5-9-14-20;1-18(28-2)25(34)30-24(20-13-8-5-9-14-20)27(36)33-16-10-15-22(33)26(35)29-21-17-32(3)31-23(21)19-11-6-4-7-12-19;1-17-22(19-11-6-4-7-12-19)26(36-31-17)30-25(34)21-15-10-16-32(21)27(35)23(20-13-8-5-9-14-20)29-24(33)18(2)28-3;1-17(27-2)24(33)30-23(19-12-7-4-8-13-19)26(35)32-15-9-14-21(32)25(34)29-20-16-28-31-22(20)18-10-5-3-6-11-18/h5,8-9,13-14,17-19,22-23,28H,4,6-7,10-12,15-16H2,1-3H3,(H,30,35)(H,31,34);4,6-7,11-12,17-18,20,22,24,28H,5,8-10,13-16H2,1-3H3,(H,29,35)(H,30,34);4,6-7,11-12,18,20-21,23,28H,5,8-10,13-16H2,1-3H3,(H,29,33)(H,30,34);3,5-6,10-11,16-17,19,21,23,27H,4,7-9,12-15H2,1-2H3,(H,28,31)(H,29,34)(H,30,33)/t18-,22-,23-;18-,22-,24-;18-,21-,23-;17-,21-,23-/m0000/s1
InChIKeyMAVXTTYBVORJDL-MSMJTHTPSA-N
XLogP11.31
TPSA452.51 Ų
H-Bond Donors13
H-Bond Acceptors23
Rotatable Bonds32
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001965.52
LogP ≤ 511.31
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1023

Analyze (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(3-hydroxyphenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide
CID 157174425
1-Benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;5-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-methylimidazolidine-2,4-dione;1-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;2-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]acetic acid;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 157205439
1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-2-ium-4-yl]-5-[(3-methylphenyl)methyl]imidazolidine-2,4-dione;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-[2-(3-methylphenyl)ethyl]imidazolidine-2,4-dione;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-[(5-methyl-2-pyridinyl)methyl]imidazolidine-2,4-dione;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-(2-phenylethyl)imidazolidine-2,4-dione;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2,5-dimethylphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 157478825
(2S)-N-[4-(3-cyanophenyl)thiadiazol-5-yl]-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide
CID 157649709
1-Benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione;5-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-methylimidazolidine-2,4-dione;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione;1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-methylpyrrolidine-2,5-dione;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(2-oxopropyl)imidazolidine-2,4-dione;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 157672603
1-Tert-butyl-3,5-dimethylpyrazolidine;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-3-methyl-5-phenyl-1,2-oxazole;4-tert-butyl-5-methyl-3-phenyl-1,2-oxazole;bis(1-(1-tert-butyltriazol-4-yl)ethanone);bis(1-(4-tert-butyltriazol-1-yl)ethanone);bis(1-(1-tert-butyltriazol-4-yl)propan-2-one);bis(1-(4-tert-butyltriazol-1-yl)propan-2-one);2-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole
CID 157891866
(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1H-pyrazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-phenyltriazol-4-yl)pyrrolidine-2-carboxamide
CID 158782854
tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;tris(1-tert-butyl-4-phenylpyrazole);3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-methyl-5-propan-2-ylcyclopent-2-en-1-one;3-methyl-5-propan-2-yl-1,2-oxazole;2-phenyl-N-propan-2-ylacetamide
CID 159383863
1-Benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione;5-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-methylimidazolidine-2,4-dione;1-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;2-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]acetic acid;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 159781791
1-Benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione;5-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-methylimidazolidine-2,4-dione;2-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]acetic acid;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 160305189
5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-trityl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one;1,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-4-one;2-trityl-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one
CID 160306520
1-Tert-butyl-3,5-dimethylpyrazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-3-methyl-5-phenyl-1,2-oxazole;4-tert-butyl-5-methyl-3-phenyl-1,2-oxazole;bis(1-(1-tert-butyltriazol-4-yl)ethanone);bis(1-(4-tert-butyltriazol-1-yl)ethanone);bis(1-(4-tert-butyltriazol-1-yl)propan-2-one)
CID 160310219

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide (CID 159513147) is (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide is CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cn(C)nc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cn[nH]c1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cnn(C)c1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1onc(C)c1-c1ccccc1)C1CCCCC1.
What is the InChIKey of (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is MAVXTTYBVORJDL-MSMJTHTPSA-N. The full InChI is InChI=1S/2C27H38N6O3.C27H37N5O4.C26H36N6O3/c1-18(28-2)25(34)31-23(19-11-6-4-7-12-19)27(36)33-16-10-15-22(33)26(35)30-21-17-29-32(3)24(21)20-13-8-5-9-14-20;1-18(28-2)25(34)30-24(20-13-8-5-9-14-20)27(36)33-16-10-15-22(33)26(35)29-21-17-32(3)31-23(21)19-11-6-4-7-12-19;1-17-22(19-11-6-4-7-12-19)26(36-31-17)30-25(34)21-15-10-16-32(21)27(35)23(20-13-8-5-9-14-20)29-24(33)18(2)28-3;1-17(27-2)24(33)30-23(19-12-7-4-8-13-19)26(35)32-15-9-14-21(32)25(34)29-20-16-28-31-22(20)18-10-5-3-6-11-18/h5,8-9,13-14,17-19,22-23,28H,4,6-7,10-12,15-16H2,1-3H3,(H,30,35)(H,31,34);4,6-7,11-12,17-18,20,22,24,28H,5,8-10,13-16H2,1-3H3,(H,29,35)(H,30,34);4,6-7,11-12,18,20-21,23,28H,5,8-10,13-16H2,1-3H3,(H,29,33)(H,30,34);3,5-6,10-11,16-17,19,21,23,27H,4,7-9,12-15H2,1-2H3,(H,28,31)(H,29,34)(H,30,33)/t18-,22-,23-;18-,22-,24-;18-,21-,23-;17-,21-,23-/m0000/s1.
What are the key properties of (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 1965.52 g/mol, XLogP of 11.31, 32 rotatable bonds, 13 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 159513147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).