3-[2-(2-methoxypyridin-3-yl)-4-methylphenyl]-1,3-oxazolidin-2-one

• ChemBase ID: 673926
• Molecular Formular: C16H16N2O3
• Molecular Mass: 284.30984
• Monoisotopic Mass: 284.11609238
• SMILES: N1(c2c(c3c(nccc3)OC)cc(cc2)C)C(=O)OCC1
• Canonical SMILES: COc1ncccc1c1cc(C)ccc1N1CCOC1=O
• InChI: InChI=1S/C16H16N2O3/c1-11-5-6-14(18-8-9-21-16(18)19)13(10-11)12-4-3-7-17-15(12)20-2/h3-7,10H,8-9H2,1-2H3
• InChIKey: AEIBRDPWEGPSER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(2-methoxypyridin-3-yl)-4-methylphenyl]-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-[2-(2-methoxypyridin-3-yl)-4-methylphenyl]-1,3-oxazolidin-2-one
• Synonyms: 3-[2-(2-methoxypyridin-3-yl)-4-methylphenyl]-1,3-oxazolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.9019635
• LogD (pH = 7.4): 2.9025416
• Log P: 2.902549
• Molar Refractivity: 78.4887 cm^3
• Polarizability: 31.347122 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.14
• LOG S: -3.96
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 3