Molecule ID: 24793927

IUPAC Name: [5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone

Description: The molecule is an N-acylpiperidine obtained by formal condensation of the carboxy group of 5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid with the secondary amino group of 4-(pyridin-4-yl)piperidine. It has a role as a P450 inhibitor. It is a N-acylpiperidine, an aromatic amide, an aromatic ether, a member of isoxazoles, a member of pyridines and a ring assembly.

SMILES: COc1cccc(OCc2cc(C(=O)N3CCC(c4ccncc4)CC3)no2)c1

SELFIES: [C][O][C][=C][C][=C][C][Branch2][Ring2][Ring2][O][C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N][=N][O][Ring2][Ring1][Ring1][=C][Ring2][Ring1][O]

InChI: InChI=1S/C22H23N3O4/c1-27-18-3-2-4-19(13-18)28-15-20-14-21(24-29-20)22(26)25-11-7-17(8-12-25)16-5-9-23-10-6-16/h2-6,9-10,13-14,17H,7-8,11-12,15H2,1H3

Molecular Properties:
- Polar Surface Area: 77.7 Ų
- LogP: 2.8