(5R)-5-(chloromethyl)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-1,3-oxazolidin-2-one

• ChemBase ID: 291851
• Molecular Formular: C14H16ClFN2O3
• Molecular Mass: 314.7398432
• Monoisotopic Mass: 314.08334828
• SMILES: O=C1O[C@@H](CCl)CN1c1ccc(N2CCOCC2)c(F)c1
• Canonical SMILES: ClC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)N1CCOCC1
• InChI: InChI=1S/C14H16ClFN2O3/c15-8-11-9-18(14(19)21-11)10-1-2-13(12(16)7-10)17-3-5-20-6-4-17/h1-2,7,11H,3-6,8-9H2/t11-/m0/s1
• InChIKey: IZNZPAMEUUTJRA-NSHDSACASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5R)-5-(chloromethyl)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-1,3-oxazolidin-2-one
• IUPAC Traditional name: (5R)-5-(chloromethyl)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-1,3-oxazolidin-2-one
• Synonyms: (R)-5-(Chloromethyl)-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one

Database IDs

• CAS Number: 496031-57-3
• PubChem SID: 180677382
• PubChem CID: 46176945

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2792907
• LogD (pH = 7.4): 2.2792907
• Log P: 2.2792907
• Molar Refractivity: 76.4245 cm^3
• Polarizability: 28.976152 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%