N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}-2-oxo-1,3-oxazolidine-4-carboxamide

• ChemBase ID: 471666
• Molecular Formular: C16H14FN3O4
• Molecular Mass: 331.2984632
• Monoisotopic Mass: 331.09683416
• SMILES: N1C(C(=O)NCc2c(Oc3c(F)cccc3)nccc2)COC1=O
• Canonical SMILES: O=C1OCC(N1)C(=O)NCc1cccnc1Oc1ccccc1F
• InChI: InChI=1S/C16H14FN3O4/c17-11-5-1-2-6-13(11)24-15-10(4-3-7-18-15)8-19-14(21)12-9-23-16(22)20-12/h1-7,12H,8-9H2,(H,19,21)(H,20,22)
• InChIKey: ICNVGFBNFWQELU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}-2-oxo-1,3-oxazolidine-4-carboxamide
• IUPAC Traditional name: N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}-2-oxo-1,3-oxazolidine-4-carboxamide
• Synonyms: N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}-2-oxo-1,3-oxazolidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.816692
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4920179
• LogD (pH = 7.4): 1.4919263
• Log P: 1.4920744
• Molar Refractivity: 80.7924 cm^3
• Polarizability: 31.138725 Å^3
• Polar Surface Area: 89.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.48
• LOG S: -2.03
• Polar Surface Area: 89.55 Å^2
• Rotatable Bonds: 5