Molecule ID: 23863215

IUPAC Name: tert-butyl 3-[(4S,5S)-2-[4-(3-hydroxypropoxy)phenyl]-5-phenyl-4-(piperidine-1-carbonyl)-5H-1,3-oxazol-4-yl]propanoate

Description: The molecule is an organonitrogen compound, an organooxygen compound and a tert-butyl ester. It derives from an alpha-amino acid.

SMILES: CC(C)(C)OC(=O)CC[C@]1(C(=O)N2CCCCC2)N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1

SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][C@][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][N][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][O][C][C][C][O][C][=C][Ring1][O][O][C@H1][Ring2][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C31H40N2O6/c1-30(2,3)39-26(35)17-18-31(29(36)33-19-8-5-9-20-33)27(23-11-6-4-7-12-23)38-28(32-31)24-13-15-25(16-14-24)37-22-10-21-34/h4,6-7,11-16,27,34H,5,8-10,17-22H2,1-3H3/t27-,31-/m0/s1

Molecular Properties:
- Polar Surface Area: 97.7 Ų
- LogP: 4.2