5-[4-(benzyloxy)phenyl]-1,3-oxazolidin-2-one

• ChemBase ID: 161871
• Molecular Formular: C16H15NO3
• Molecular Mass: 269.2952
• Monoisotopic Mass: 269.10519335
• SMILES: c1cccc(c1)COc1ccc(cc1)C1OC(=O)NC1
• Canonical SMILES: O=C1NCC(O1)c1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C16H15NO3/c18-16-17-10-15(20-16)13-6-8-14(9-7-13)19-11-12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H,17,18)
• InChIKey: QFDVKHYDKDBVHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[4-(benzyloxy)phenyl]-1,3-oxazolidin-2-one
• IUPAC Traditional name: 5-[4-(benzyloxy)phenyl]-1,3-oxazolidin-2-one
• Synonyms: 5-[4-(Phenylmethoxy)phenyl]-2-oxazolidinone; 5-(4'-Benzyloxyphenyl)-2-oxazolidone

Database IDs

• CAS Number: 88693-98-5
• PubChem SID: 162256006
• PubChem CID: 13358330

CALCULATED PROPERTIES

• Acid pKa: 12.596919
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9921958
• LogD (pH = 7.4): 2.9921935
• Log P: 2.992196
• Molar Refractivity: 74.3758 cm^3
• Polarizability: 29.124424 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate
• Apperance: Yellow Solid
• Melting Point: 140-142°C

Safety Information

• Storage Condition: Refrigerator