N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide

C20H23N3O3 — CID 135101331

IUPACN-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N(C)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1
InChIInChI=1S/C20H23N3O3/c1-12-18(19(22-26-12)13-6-4-3-5-7-13)20(25)23(2)16-8-14-10-17(24)21-11-15(14)9-16/h3-7,14-16H,8-11H2,1-2H3,(H,21,24)/t14-,15+,16-/m1/s1
InChIKeyXLCGOBVAMMGQTM-OWCLPIDISA-N
MW353.42 g/mol
LogP2.64
Rot. Bonds3

About N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 135101331) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID135101331
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N(C)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1
InChIInChI=1S/C20H23N3O3/c1-12-18(19(22-26-12)13-6-4-3-5-7-13)20(25)23(2)16-8-14-10-17(24)21-11-15(14)9-16/h3-7,14-16H,8-11H2,1-2H3,(H,21,24)/t14-,15+,16-/m1/s1
InChIKeyXLCGOBVAMMGQTM-OWCLPIDISA-N
XLogP2.64
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 135101331) is N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)N(C)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1.
What is the InChIKey of N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is XLCGOBVAMMGQTM-OWCLPIDISA-N. The full InChI is InChI=1S/C20H23N3O3/c1-12-18(19(22-26-12)13-6-4-3-5-7-13)20(25)23(2)16-8-14-10-17(24)21-11-15(14)9-16/h3-7,14-16H,8-11H2,1-2H3,(H,21,24)/t14-,15+,16-/m1/s1.
What are the key properties of N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 135101331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).