N-[(3S,4S)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3S,5R)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(3-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;methyl 2-[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate;methyl 2-[(3S,4R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate

C110H152N20O18 — CID 162234506

IUPACN-[(3S,4S)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3S,5R)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(3-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;methyl 2-[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate;methyl 2-[(3S,4R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate
SMILESCC(C)[C@H]1CN(C(C)C)C[C@H]1NC(=O)c1cc(C2CC2)on1.CC(C)c1cc(C(=O)N[C@H]2C[C@@H](CCC(=O)C3CCCCC3)N(C3CC3)C2)no1.COC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C3CC3)on2)C1.COC(=O)CN1C[C@H](C)[C@H](NC(=O)c2cc(C3CC3)on2)C1.COc1cccc(CN2C[C@H](C)[C@H](NC(=O)c3cc(C4CC4)on3)C2)c1.C[C@H]1CN(Cc2ccc3c(c2)=NCN=3)C[C@H]1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C23H35N3O3.C20H23N5O2.C20H25N3O3.C17H27N3O2.2C15H21N3O4/c1-15(2)22-13-20(25-29-22)23(28)24-17-12-19(26(14-17)18-8-9-18)10-11-21(27)16-6-4-3-5-7-16;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;1-13-10-23(11-14-4-3-5-16(8-14)25-2)12-18(13)21-20(24)17-9-19(26-22-17)15-6-7-15;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;2*1-9-6-18(8-14(19)21-2)7-12(9)16-15(20)11-5-13(22-17-11)10-3-4-10/h13,15-19H,3-12,14H2,1-2H3,(H,24,28);2,5-7,12,14,18H,3-4,8-11H2,1H3,(H,23,26);3-5,8-9,13,15,18H,6-7,10-12H2,1-2H3,(H,21,24);7,10-13,15H,5-6,8-9H2,1-4H3,(H,18,21);2*5,9-10,12H,3-4,6-8H2,1-2H3,(H,16,20)/t17-,19+;12-,18+;13-,18+;13-,15-;9-,12+;9-,12-/m000101/s1
InChIKeyZVWNZIYBPSKNQH-UTNPOGKZSA-N
MW2042.55 g/mol
LogP12.08
Rot. Bonds34

About N-[(3S,4S)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3S,5R)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(3-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;methyl 2-[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate;methyl 2-[(3S,4R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate

N-[(3S,4S)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3S,5R)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(3-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;methyl 2-[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate;methyl 2-[(3S,4R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate (PubChem CID 162234506) has the molecular formula C110H152N20O18 and a molecular weight of 2042.55 g/mol. Its IUPAC name is N-[(3S,4S)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3S,5R)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(3-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;methyl 2-[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate;methyl 2-[(3S,4R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate.

Molecular Properties

Compound NameN-[(3S,4S)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3S,5R)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(3-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;methyl 2-[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate;methyl 2-[(3S,4R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate
PubChem CID162234506
Molecular FormulaC110H152N20O18
Molecular Weight2042.55 g/mol
Exact Mass2041.16
IUPAC NameN-[(3S,4S)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3S,5R)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(3-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;methyl 2-[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate;methyl 2-[(3S,4R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate
SMILESCC(C)[C@H]1CN(C(C)C)C[C@H]1NC(=O)c1cc(C2CC2)on1.CC(C)c1cc(C(=O)N[C@H]2C[C@@H](CCC(=O)C3CCCCC3)N(C3CC3)C2)no1.COC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C3CC3)on2)C1.COC(=O)CN1C[C@H](C)[C@H](NC(=O)c2cc(C3CC3)on2)C1.COc1cccc(CN2C[C@H](C)[C@H](NC(=O)c3cc(C4CC4)on3)C2)c1.C[C@H]1CN(Cc2ccc3c(c2)=NCN=3)C[C@H]1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C23H35N3O3.C20H23N5O2.C20H25N3O3.C17H27N3O2.2C15H21N3O4/c1-15(2)22-13-20(25-29-22)23(28)24-17-12-19(26(14-17)18-8-9-18)10-11-21(27)16-6-4-3-5-7-16;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;1-13-10-23(11-14-4-3-5-16(8-14)25-2)12-18(13)21-20(24)17-9-19(26-22-17)15-6-7-15;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;2*1-9-6-18(8-14(19)21-2)7-12(9)16-15(20)11-5-13(22-17-11)10-3-4-10/h13,15-19H,3-12,14H2,1-2H3,(H,24,28);2,5-7,12,14,18H,3-4,8-11H2,1H3,(H,23,26);3-5,8-9,13,15,18H,6-7,10-12H2,1-2H3,(H,21,24);7,10-13,15H,5-6,8-9H2,1-4H3,(H,18,21);2*5,9-10,12H,3-4,6-8H2,1-2H3,(H,16,20)/t17-,19+;12-,18+;13-,18+;13-,15-;9-,12+;9-,12-/m000101/s1
InChIKeyZVWNZIYBPSKNQH-UTNPOGKZSA-N
XLogP12.08
TPSA453.84 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds34
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002042.55
LogP ≤ 512.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Analyze N-[(3S,4S)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3S,5R)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(3-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;methyl 2-[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate;methyl 2-[(3S,4R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate with MolForge

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Related Compounds

N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 147422371
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
5-cyclopropyl-N-[(3S,4S)-1-[(3,5-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 140808746
N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130395242
5-cyclopropyl-N-[(3S,4S)-1-[(2,3-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395310
5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-oxopropyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 160897490
5-cyclopropyl-N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386462
5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386667
5-cyclopropyl-N-[4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386404
3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 95813060
5-cyclopropyl-N-[(3S,4S)-4-methyl-1-(quinolin-8-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395332
5-(azetidin-3-yl)-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386630

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3S,5R)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(3-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;methyl 2-[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate;methyl 2-[(3S,4R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate?
The IUPAC name of N-[(3S,4S)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3S,5R)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(3-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;methyl 2-[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate;methyl 2-[(3S,4R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate (CID 162234506) is N-[(3S,4S)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3S,5R)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(3-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;methyl 2-[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate;methyl 2-[(3S,4R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate.
What is the SMILES notation for N-[(3S,4S)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3S,5R)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(3-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;methyl 2-[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate;methyl 2-[(3S,4R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate?
The canonical SMILES for N-[(3S,4S)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3S,5R)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(3-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;methyl 2-[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate;methyl 2-[(3S,4R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate is CC(C)[C@H]1CN(C(C)C)C[C@H]1NC(=O)c1cc(C2CC2)on1.CC(C)c1cc(C(=O)N[C@H]2C[C@@H](CCC(=O)C3CCCCC3)N(C3CC3)C2)no1.COC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C3CC3)on2)C1.COC(=O)CN1C[C@H](C)[C@H](NC(=O)c2cc(C3CC3)on2)C1.COc1cccc(CN2C[C@H](C)[C@H](NC(=O)c3cc(C4CC4)on3)C2)c1.C[C@H]1CN(Cc2ccc3c(c2)=NCN=3)C[C@H]1NC(=O)c1cc(C2CC2)on1.
What is the InChIKey of N-[(3S,4S)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3S,5R)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(3-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;methyl 2-[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate;methyl 2-[(3S,4R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate?
The InChIKey is ZVWNZIYBPSKNQH-UTNPOGKZSA-N. The full InChI is InChI=1S/C23H35N3O3.C20H23N5O2.C20H25N3O3.C17H27N3O2.2C15H21N3O4/c1-15(2)22-13-20(25-29-22)23(28)24-17-12-19(26(14-17)18-8-9-18)10-11-21(27)16-6-4-3-5-7-16;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;1-13-10-23(11-14-4-3-5-16(8-14)25-2)12-18(13)21-20(24)17-9-19(26-22-17)15-6-7-15;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;2*1-9-6-18(8-14(19)21-2)7-12(9)16-15(20)11-5-13(22-17-11)10-3-4-10/h13,15-19H,3-12,14H2,1-2H3,(H,24,28);2,5-7,12,14,18H,3-4,8-11H2,1H3,(H,23,26);3-5,8-9,13,15,18H,6-7,10-12H2,1-2H3,(H,21,24);7,10-13,15H,5-6,8-9H2,1-4H3,(H,18,21);2*5,9-10,12H,3-4,6-8H2,1-2H3,(H,16,20)/t17-,19+;12-,18+;13-,18+;13-,15-;9-,12+;9-,12-/m000101/s1.
What are the key properties of N-[(3S,4S)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3S,5R)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(3-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;methyl 2-[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate;methyl 2-[(3S,4R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate?
N-[(3S,4S)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3S,5R)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(3-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;methyl 2-[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate;methyl 2-[(3S,4R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate has a molecular weight of 2042.55 g/mol, XLogP of 12.08, 34 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1-(2H-benzimidazol-5-ylmethyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3S,5R)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1,4-di(propan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(3-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;methyl 2-[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate;methyl 2-[(3S,4R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]acetate is sourced from PubChem (CID 162234506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).