N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide

C20H23N3O3 — CID 163315410

IUPACN-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCN1C[C@H]2C[C@@H](N(C)C(=O)c3cc(-c4ccccc4)no3)C[C@H]2CC1=O
InChIInChI=1S/C20H23N3O3/c1-22-12-15-9-16(8-14(15)10-19(22)24)23(2)20(25)18-11-17(21-26-18)13-6-4-3-5-7-13/h3-7,11,14-16H,8-10,12H2,1-2H3/t14-,15+,16-/m0/s1
InChIKeyGESJXXFVHTWRCL-XHSDSOJGSA-N
MW353.42 g/mol
LogP2.67
Rot. Bonds3

About N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide

N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 163315410) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID163315410
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCN1C[C@H]2C[C@@H](N(C)C(=O)c3cc(-c4ccccc4)no3)C[C@H]2CC1=O
InChIInChI=1S/C20H23N3O3/c1-22-12-15-9-16(8-14(15)10-19(22)24)23(2)20(25)18-11-17(21-26-18)13-6-4-3-5-7-13/h3-7,11,14-16H,8-10,12H2,1-2H3/t14-,15+,16-/m0/s1
InChIKeyGESJXXFVHTWRCL-XHSDSOJGSA-N
XLogP2.67
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4aR,6R,7aR)-2-methyl-6-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one
CID 134712054
N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N,3-dimethylpyridine-2-carboxamide
CID 157011004
N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-1,3-dihydro-2-benzofuran-4-carboxamide
CID 162636497
N-[3-[5-[(1R)-1-methoxyethyl]triazol-1-yl]cyclobutyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
CID 121448126
N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-6-amino-N-methylpyridine-3-carboxamide
CID 162626481
N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-3-propan-2-yloxybenzamide
CID 134703177
N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-3-chloro-N-methylpyridine-4-carboxamide
CID 134696883
N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-ethoxy-N-methylpyridine-3-carboxamide
CID 162628560
2-[[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-methylamino]-N-phenylacetamide
CID 135103671
N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N,1-dimethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 164692241
N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-4-[methyl(methylsulfonyl)amino]benzamide
CID 134702333
N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N,4,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 135095688

Frequently Asked Questions

What is the IUPAC name of N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide (CID 163315410) is N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide is CN1C[C@H]2C[C@@H](N(C)C(=O)c3cc(-c4ccccc4)no3)C[C@H]2CC1=O.
What is the InChIKey of N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is GESJXXFVHTWRCL-XHSDSOJGSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-22-12-15-9-16(8-14(15)10-19(22)24)23(2)20(25)18-11-17(21-26-18)13-6-4-3-5-7-13/h3-7,11,14-16H,8-10,12H2,1-2H3/t14-,15+,16-/m0/s1.
What are the key properties of N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide?
N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 163315410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).