N-[(3S,4R)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(3,5-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(2-fluoro-5-nitrophenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(3H-pyrrol-5-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

C129H168FN29O18 — CID 159427560

IUPACN-[(3S,4R)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(3,5-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(2-fluoro-5-nitrophenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(3H-pyrrol-5-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESCC(C)[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cc(C2CC2)on1.COc1cc(CN2C[C@@H](C)[C@H](NC(=O)c3cc(C4CC4)on3)C2)cc(OC)c1.C[C@@H]1CN(CC2=CCC=N2)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2F)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@@H]1CN(Cc2ccc3c(c2)=NCN=3)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@@H]1CN(Cc2ccnn2C)C[C@H]1NC(=O)c1cc(C2CC2)on1.Cc1nn(C)cc1CN1C[C@@H](C)[C@H](NC(=O)c2cc(C3CC3)on2)C1
InChIInChI=1S/C21H27N3O4.C20H23N5O2.C19H21FN4O4.C18H25N5O2.C17H23N5O2.C17H22N4O2.C17H27N3O2/c1-13-10-24(11-14-6-16(26-2)8-17(7-14)27-3)12-19(13)22-21(25)18-9-20(28-23-18)15-4-5-15;1-12-8-25(9-13-2-5-15-16(6-13)22-11-21-15)10-18(12)23-20(26)17-7-19(27-24-17)14-3-4-14;1-11-8-23(9-13-6-14(24(26)27)4-5-15(13)20)10-17(11)21-19(25)16-7-18(28-22-16)12-2-3-12;1-11-7-23(9-14-8-22(3)20-12(14)2)10-16(11)19-18(24)15-6-17(25-21-15)13-4-5-13;1-11-8-22(9-13-5-6-18-21(13)2)10-15(11)19-17(23)14-7-16(24-20-14)12-3-4-12;1-11-8-21(9-13-3-2-6-18-13)10-15(11)19-17(22)14-7-16(23-20-14)12-4-5-12;1-10(2)13-8-20(11(3)4)9-15(13)18-17(21)14-7-16(22-19-14)12-5-6-12/h6-9,13,15,19H,4-5,10-12H2,1-3H3,(H,22,25);2,5-7,12,14,18H,3-4,8-11H2,1H3,(H,23,26);4-7,11-12,17H,2-3,8-10H2,1H3,(H,21,25);6,8,11,13,16H,4-5,7,9-10H2,1-3H3,(H,19,24);5-7,11-12,15H,3-4,8-10H2,1-2H3,(H,19,23);3,6-7,11-12,15H,2,4-5,8-10H2,1H3,(H,19,22);7,10-13,15H,5-6,8-9H2,1-4H3,(H,18,21)/t13-,19-;12-,18-;11-,17-;11-,16-;2*11-,15-;13-,15+/m1111111/s1
InChIKeyHWHVBDFFBYJQFT-DSPMDWJVSA-N
MW2431.95 g/mol
LogP14.67
Rot. Bonds38

About N-[(3S,4R)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(3,5-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(2-fluoro-5-nitrophenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(3H-pyrrol-5-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

N-[(3S,4R)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(3,5-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(2-fluoro-5-nitrophenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(3H-pyrrol-5-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 159427560) has the molecular formula C129H168FN29O18 and a molecular weight of 2431.95 g/mol. Its IUPAC name is N-[(3S,4R)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(3,5-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(2-fluoro-5-nitrophenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(3H-pyrrol-5-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(3,5-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(2-fluoro-5-nitrophenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(3H-pyrrol-5-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID159427560
Molecular FormulaC129H168FN29O18
Molecular Weight2431.95 g/mol
Exact Mass2430.31
IUPAC NameN-[(3S,4R)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(3,5-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(2-fluoro-5-nitrophenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(3H-pyrrol-5-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESCC(C)[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cc(C2CC2)on1.COc1cc(CN2C[C@@H](C)[C@H](NC(=O)c3cc(C4CC4)on3)C2)cc(OC)c1.C[C@@H]1CN(CC2=CCC=N2)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2F)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@@H]1CN(Cc2ccc3c(c2)=NCN=3)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@@H]1CN(Cc2ccnn2C)C[C@H]1NC(=O)c1cc(C2CC2)on1.Cc1nn(C)cc1CN1C[C@@H](C)[C@H](NC(=O)c2cc(C3CC3)on2)C1
InChIInChI=1S/C21H27N3O4.C20H23N5O2.C19H21FN4O4.C18H25N5O2.C17H23N5O2.C17H22N4O2.C17H27N3O2/c1-13-10-24(11-14-6-16(26-2)8-17(7-14)27-3)12-19(13)22-21(25)18-9-20(28-23-18)15-4-5-15;1-12-8-25(9-13-2-5-15-16(6-13)22-11-21-15)10-18(12)23-20(26)17-7-19(27-24-17)14-3-4-14;1-11-8-23(9-13-6-14(24(26)27)4-5-15(13)20)10-17(11)21-19(25)16-7-18(28-22-16)12-2-3-12;1-11-7-23(9-14-8-22(3)20-12(14)2)10-16(11)19-18(24)15-6-17(25-21-15)13-4-5-13;1-11-8-22(9-13-5-6-18-21(13)2)10-15(11)19-17(23)14-7-16(24-20-14)12-3-4-12;1-11-8-21(9-13-3-2-6-18-13)10-15(11)19-17(22)14-7-16(23-20-14)12-4-5-12;1-10(2)13-8-20(11(3)4)9-15(13)18-17(21)14-7-16(22-19-14)12-5-6-12/h6-9,13,15,19H,4-5,10-12H2,1-3H3,(H,22,25);2,5-7,12,14,18H,3-4,8-11H2,1H3,(H,23,26);4-7,11-12,17H,2-3,8-10H2,1H3,(H,21,25);6,8,11,13,16H,4-5,7,9-10H2,1-3H3,(H,19,24);5-7,11-12,15H,3-4,8-10H2,1-2H3,(H,19,23);3,6-7,11-12,15H,2,4-5,8-10H2,1H3,(H,19,22);7,10-13,15H,5-6,8-9H2,1-4H3,(H,18,21)/t13-,19-;12-,18-;11-,17-;11-,16-;2*11-,15-;13-,15+/m1111111/s1
InChIKeyHWHVBDFFBYJQFT-DSPMDWJVSA-N
XLogP14.67
TPSA542.91 Ų
H-Bond Donors7
H-Bond Acceptors39
Rotatable Bonds38
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002431.95
LogP ≤ 514.67
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(3S,4R)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(3,5-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(2-fluoro-5-nitrophenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(3H-pyrrol-5-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(3,5-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(2-fluoro-5-nitrophenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(3H-pyrrol-5-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3S,4R)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(3,5-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(2-fluoro-5-nitrophenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(3H-pyrrol-5-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 159427560) is N-[(3S,4R)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(3,5-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(2-fluoro-5-nitrophenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(3H-pyrrol-5-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(3,5-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(2-fluoro-5-nitrophenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(3H-pyrrol-5-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(3,5-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(2-fluoro-5-nitrophenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(3H-pyrrol-5-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is CC(C)[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cc(C2CC2)on1.COc1cc(CN2C[C@@H](C)[C@H](NC(=O)c3cc(C4CC4)on3)C2)cc(OC)c1.C[C@@H]1CN(CC2=CCC=N2)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2F)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@@H]1CN(Cc2ccc3c(c2)=NCN=3)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@@H]1CN(Cc2ccnn2C)C[C@H]1NC(=O)c1cc(C2CC2)on1.Cc1nn(C)cc1CN1C[C@@H](C)[C@H](NC(=O)c2cc(C3CC3)on2)C1.
What is the InChIKey of N-[(3S,4R)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(3,5-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(2-fluoro-5-nitrophenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(3H-pyrrol-5-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is HWHVBDFFBYJQFT-DSPMDWJVSA-N. The full InChI is InChI=1S/C21H27N3O4.C20H23N5O2.C19H21FN4O4.C18H25N5O2.C17H23N5O2.C17H22N4O2.C17H27N3O2/c1-13-10-24(11-14-6-16(26-2)8-17(7-14)27-3)12-19(13)22-21(25)18-9-20(28-23-18)15-4-5-15;1-12-8-25(9-13-2-5-15-16(6-13)22-11-21-15)10-18(12)23-20(26)17-7-19(27-24-17)14-3-4-14;1-11-8-23(9-13-6-14(24(26)27)4-5-15(13)20)10-17(11)21-19(25)16-7-18(28-22-16)12-2-3-12;1-11-7-23(9-14-8-22(3)20-12(14)2)10-16(11)19-18(24)15-6-17(25-21-15)13-4-5-13;1-11-8-22(9-13-5-6-18-21(13)2)10-15(11)19-17(23)14-7-16(24-20-14)12-3-4-12;1-11-8-21(9-13-3-2-6-18-13)10-15(11)19-17(22)14-7-16(23-20-14)12-4-5-12;1-10(2)13-8-20(11(3)4)9-15(13)18-17(21)14-7-16(22-19-14)12-5-6-12/h6-9,13,15,19H,4-5,10-12H2,1-3H3,(H,22,25);2,5-7,12,14,18H,3-4,8-11H2,1H3,(H,23,26);4-7,11-12,17H,2-3,8-10H2,1H3,(H,21,25);6,8,11,13,16H,4-5,7,9-10H2,1-3H3,(H,19,24);5-7,11-12,15H,3-4,8-10H2,1-2H3,(H,19,23);3,6-7,11-12,15H,2,4-5,8-10H2,1H3,(H,19,22);7,10-13,15H,5-6,8-9H2,1-4H3,(H,18,21)/t13-,19-;12-,18-;11-,17-;11-,16-;2*11-,15-;13-,15+/m1111111/s1.
What are the key properties of N-[(3S,4R)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(3,5-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(2-fluoro-5-nitrophenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(3H-pyrrol-5-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
N-[(3S,4R)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(3,5-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(2-fluoro-5-nitrophenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(3H-pyrrol-5-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 2431.95 g/mol, XLogP of 14.67, 38 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(3,5-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-1-[(2-fluoro-5-nitrophenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(3H-pyrrol-5-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 159427560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).