Molecule ID: 118797940

IUPAC Name: (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-(3-isoquinolin-4-ylpropanoyl)-4-methyl-1,3-oxazolidin-2-one

Description: The molecule is a member of the class of oxazolidinones that is oxazolidin-2-one substituted at positions 3, 4 and 5 by 3-(isoquinolin-4-yl)propanoyl, methyl and 3,5-bis(trifluoromethyl)phenyl groups respectively. An inhibitor of teichoic acid biosynthesis. It has a role as a teichoic acid biosynthesis inhibitor. It is a member of (trifluoromethyl)benzenes, a carbamate ester, a dicarboximide, an oxazolidinone and a member of isoquinolines. It derives from an oxazolidin-2-one.

SMILES: C[C@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1C(=O)CCc1cncc2ccccc12

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

InChI: InChI=1S/C24H18F6N2O3/c1-13-21(16-8-17(23(25,26)27)10-18(9-16)24(28,29)30)35-22(34)32(13)20(33)7-6-15-12-31-11-14-4-2-3-5-19(14)15/h2-5,8-13,21H,6-7H2,1H3/t13-,21-/m0/s1

Molecular Properties:
- Polar Surface Area: 59.5 Ų
- LogP: 5.5