N-[(3S,4R)-1-cyclohexyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1-(2-hydroxyacetyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(oxan-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

C86H125N17O15 — CID 158135067

IUPACN-[(3S,4R)-1-cyclohexyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1-(2-hydroxyacetyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(oxan-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@@H]1CN(C(=O)C2CCNCC2)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@@H]1CN(C2CCCCC2)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@@H]1CN(C2CCOCC2)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@H]1CN(C(=O)CC2CCNCC2)C[C@@H]1NC(=O)c1cc(C2CC2)on1.C[C@H]1CN(C(=O)CO)C[C@@H]1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C19H28N4O3.C18H26N4O3.C18H27N3O2.C17H25N3O3.C14H19N3O4/c1-12-10-23(18(24)8-13-4-6-20-7-5-13)11-16(12)21-19(25)15-9-17(26-22-15)14-2-3-14;1-11-9-22(18(24)13-4-6-19-7-5-13)10-15(11)20-17(23)14-8-16(25-21-14)12-2-3-12;1-12-10-21(14-5-3-2-4-6-14)11-16(12)19-18(22)15-9-17(23-20-15)13-7-8-13;1-11-9-20(13-4-6-22-7-5-13)10-15(11)18-17(21)14-8-16(23-19-14)12-2-3-12;1-8-5-17(13(19)7-18)6-11(8)15-14(20)10-4-12(21-16-10)9-2-3-9/h9,12-14,16,20H,2-8,10-11H2,1H3,(H,21,25);8,11-13,15,19H,2-7,9-10H2,1H3,(H,20,23);9,12-14,16H,2-8,10-11H2,1H3,(H,19,22);8,11-13,15H,2-7,9-10H2,1H3,(H,18,21);4,8-9,11,18H,2-3,5-7H2,1H3,(H,15,20)/t12-,16-;11-,15-;12-,16-;11-,15-;8-,11-/m01110/s1
InChIKeyFTGCHVJLDLPMLP-NVVNJWLISA-N
MW1637.05 g/mol
LogP7.48
Rot. Bonds21

About N-[(3S,4R)-1-cyclohexyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1-(2-hydroxyacetyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(oxan-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

N-[(3S,4R)-1-cyclohexyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1-(2-hydroxyacetyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(oxan-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 158135067) has the molecular formula C86H125N17O15 and a molecular weight of 1637.05 g/mol. Its IUPAC name is N-[(3S,4R)-1-cyclohexyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1-(2-hydroxyacetyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(oxan-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-cyclohexyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1-(2-hydroxyacetyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(oxan-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID158135067
Molecular FormulaC86H125N17O15
Molecular Weight1637.05 g/mol
Exact Mass1635.95
IUPAC NameN-[(3S,4R)-1-cyclohexyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1-(2-hydroxyacetyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(oxan-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@@H]1CN(C(=O)C2CCNCC2)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@@H]1CN(C2CCCCC2)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@@H]1CN(C2CCOCC2)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@H]1CN(C(=O)CC2CCNCC2)C[C@@H]1NC(=O)c1cc(C2CC2)on1.C[C@H]1CN(C(=O)CO)C[C@@H]1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C19H28N4O3.C18H26N4O3.C18H27N3O2.C17H25N3O3.C14H19N3O4/c1-12-10-23(18(24)8-13-4-6-20-7-5-13)11-16(12)21-19(25)15-9-17(26-22-15)14-2-3-14;1-11-9-22(18(24)13-4-6-19-7-5-13)10-15(11)20-17(23)14-8-16(25-21-14)12-2-3-12;1-12-10-21(14-5-3-2-4-6-14)11-16(12)19-18(22)15-9-17(23-20-15)13-7-8-13;1-11-9-20(13-4-6-22-7-5-13)10-15(11)18-17(21)14-8-16(23-19-14)12-2-3-12;1-8-5-17(13(19)7-18)6-11(8)15-14(20)10-4-12(21-16-10)9-2-3-9/h9,12-14,16,20H,2-8,10-11H2,1H3,(H,21,25);8,11-13,15,19H,2-7,9-10H2,1H3,(H,20,23);9,12-14,16H,2-8,10-11H2,1H3,(H,19,22);8,11-13,15H,2-7,9-10H2,1H3,(H,18,21);4,8-9,11,18H,2-3,5-7H2,1H3,(H,15,20)/t12-,16-;11-,15-;12-,16-;11-,15-;8-,11-/m01110/s1
InChIKeyFTGCHVJLDLPMLP-NVVNJWLISA-N
XLogP7.48
TPSA396.58 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001637.05
LogP ≤ 57.48
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze N-[(3S,4R)-1-cyclohexyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1-(2-hydroxyacetyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(oxan-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-piperidin-4-ylacetyl)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-cyclohexyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1-(2-hydroxyacetyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(oxan-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3S,4R)-1-cyclohexyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1-(2-hydroxyacetyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(oxan-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 158135067) is N-[(3S,4R)-1-cyclohexyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1-(2-hydroxyacetyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(oxan-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-1-cyclohexyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1-(2-hydroxyacetyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(oxan-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-1-cyclohexyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1-(2-hydroxyacetyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(oxan-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is C[C@@H]1CN(C(=O)C2CCNCC2)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@@H]1CN(C2CCCCC2)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@@H]1CN(C2CCOCC2)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@H]1CN(C(=O)CC2CCNCC2)C[C@@H]1NC(=O)c1cc(C2CC2)on1.C[C@H]1CN(C(=O)CO)C[C@@H]1NC(=O)c1cc(C2CC2)on1.
What is the InChIKey of N-[(3S,4R)-1-cyclohexyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1-(2-hydroxyacetyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(oxan-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is FTGCHVJLDLPMLP-NVVNJWLISA-N. The full InChI is InChI=1S/C19H28N4O3.C18H26N4O3.C18H27N3O2.C17H25N3O3.C14H19N3O4/c1-12-10-23(18(24)8-13-4-6-20-7-5-13)11-16(12)21-19(25)15-9-17(26-22-15)14-2-3-14;1-11-9-22(18(24)13-4-6-19-7-5-13)10-15(11)20-17(23)14-8-16(25-21-14)12-2-3-12;1-12-10-21(14-5-3-2-4-6-14)11-16(12)19-18(22)15-9-17(23-20-15)13-7-8-13;1-11-9-20(13-4-6-22-7-5-13)10-15(11)18-17(21)14-8-16(23-19-14)12-2-3-12;1-8-5-17(13(19)7-18)6-11(8)15-14(20)10-4-12(21-16-10)9-2-3-9/h9,12-14,16,20H,2-8,10-11H2,1H3,(H,21,25);8,11-13,15,19H,2-7,9-10H2,1H3,(H,20,23);9,12-14,16H,2-8,10-11H2,1H3,(H,19,22);8,11-13,15H,2-7,9-10H2,1H3,(H,18,21);4,8-9,11,18H,2-3,5-7H2,1H3,(H,15,20)/t12-,16-;11-,15-;12-,16-;11-,15-;8-,11-/m01110/s1.
What are the key properties of N-[(3S,4R)-1-cyclohexyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1-(2-hydroxyacetyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(oxan-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
N-[(3S,4R)-1-cyclohexyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1-(2-hydroxyacetyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(oxan-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 1637.05 g/mol, XLogP of 7.48, 21 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-cyclohexyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-1-(2-hydroxyacetyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(oxan-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 158135067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).