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

• ChemBase ID: 287530
• Molecular Formular: C14H17FN2O4
• Molecular Mass: 296.2941832
• Monoisotopic Mass: 296.11723525
• SMILES: O=C1O[C@@H](CO)CN1c1ccc(N2CCOCC2)c(F)c1
• Canonical SMILES: OC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)N1CCOCC1
• InChI: InChI=1S/C14H17FN2O4/c15-12-7-10(17-8-11(9-18)21-14(17)19)1-2-13(12)16-3-5-20-6-4-16/h1-2,7,11,18H,3-6,8-9H2/t11-/m1/s1
• InChIKey: OLDRPBWULXUVTL-LLVKDONJSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 168828-82-8
• PubChem SID: 180673061
• PubChem CID: 10541953

CALCULATED PROPERTIES

• Acid pKa: 14.608045
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.92469877
• LogD (pH = 7.4): 0.9246988
• Log P: 0.9246988
• Molar Refractivity: 73.3735 cm^3
• Polarizability: 27.75522 Å^3
• Polar Surface Area: 62.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%