2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(2-phenoxypyridin-3-yl)methyl]acetamide

• ChemBase ID: 653007
• Molecular Formular: C17H17N3O4
• Molecular Mass: 327.33458
• Monoisotopic Mass: 327.12190604
• SMILES: C1(=O)N(CC(=O)NCc2c(Oc3ccccc3)nccc2)CCO1
• Canonical SMILES: O=C(CN1CCOC1=O)NCc1cccnc1Oc1ccccc1
• InChI: InChI=1S/C17H17N3O4/c21-15(12-20-9-10-23-17(20)22)19-11-13-5-4-8-18-16(13)24-14-6-2-1-3-7-14/h1-8H,9-12H2,(H,19,21)
• InChIKey: WLFSAESWOQWLJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(2-phenoxypyridin-3-yl)methyl]acetamide
• IUPAC Traditional name: 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(2-phenoxypyridin-3-yl)methyl]acetamide
• Synonyms: 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(2-phenoxy-3-pyridinyl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.577512
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3610265
• LogD (pH = 7.4): 1.3610913
• Log P: 1.3610922
• Molar Refractivity: 85.7274 cm^3
• Polarizability: 33.224575 Å^3
• Polar Surface Area: 80.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.63
• LOG S: -3.4
• Polar Surface Area: 80.76 Å^2
• Rotatable Bonds: 6