methyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoate

• ChemBase ID: 120621
• Molecular Formular: C12H13NO5
• Molecular Mass: 251.23532
• Monoisotopic Mass: 251.07937252
• SMILES: C1(=O)NCC(O1)COc1ccc(C(=O)OC)cc1
• Canonical SMILES: COC(=O)c1ccc(cc1)OCC1CNC(=O)O1
• InChI: InChI=1S/C12H13NO5/c1-16-11(14)8-2-4-9(5-3-8)17-7-10-6-13-12(15)18-10/h2-5,10H,6-7H2,1H3,(H,13,15)
• InChIKey: YNAGFUQOMIAQJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoate
• IUPAC Traditional name: methyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoate
• Synonyms: methyl 4-((2-oxooxazolidin-5-yl)methoxy)benzoate

Database IDs

• PubChem SID: 162214974
• PubChem CID: 2771943

CALCULATED PROPERTIES

• Acid pKa: 12.238783
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3484474
• LogD (pH = 7.4): 1.348442
• Log P: 1.3484476
• Molar Refractivity: 61.2649 cm^3
• Polarizability: 24.059898 Å^3
• Polar Surface Area: 73.86 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true