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

• ChemBase ID: 120623
• Molecular Formular: C11H13NO3
• Molecular Mass: 207.22582
• Monoisotopic Mass: 207.08954328
• SMILES: C1(=O)NCC(O1)COCc1ccccc1
• Canonical SMILES: O=C1NCC(O1)COCc1ccccc1
• InChI: InChI=1S/C11H13NO3/c13-11-12-6-10(15-11)8-14-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)
• InChIKey: SRLIILIYNJEOSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(benzyloxy)methyl]-1,3-oxazolidin-2-one
• IUPAC Traditional name: 5-[(benzyloxy)methyl]-1,3-oxazolidin-2-one
• Synonyms: 5-((benzyloxy)methyl)oxazolidin-2-one

Database IDs

• PubChem SID: 162214976
• PubChem CID: 2771944

CALCULATED PROPERTIES

• Acid pKa: 13.124658
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3784186
• LogD (pH = 7.4): 1.3784178
• Log P: 1.3784186
• Molar Refractivity: 54.3435 cm^3
• Polarizability: 21.412874 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true