2-(2,4-difluorophenoxy)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide

• ChemBase ID: 353077
• Molecular Formular: C18H14F2N2O3
• Molecular Mass: 344.3121664
• Monoisotopic Mass: 344.09724876
• SMILES: n1c(occ1CNC(=O)COc1c(cc(cc1)F)F)c1ccccc1
• Canonical SMILES: O=C(COc1ccc(cc1F)F)NCc1coc(n1)c1ccccc1
• InChI: InChI=1S/C18H14F2N2O3/c19-13-6-7-16(15(20)8-13)24-11-17(23)21-9-14-10-25-18(22-14)12-4-2-1-3-5-12/h1-8,10H,9,11H2,(H,21,23)
• InChIKey: NXYYWLVCMRGDNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-difluorophenoxy)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide
• IUPAC Traditional name: 2-(2,4-difluorophenoxy)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide
• Synonyms: 2-(2,4-difluorophenoxy)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.541422
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7683005
• LogD (pH = 7.4): 2.768274
• Log P: 2.7683017
• Molar Refractivity: 95.6589 cm^3
• Polarizability: 32.985508 Å^3
• Polar Surface Area: 64.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.18
• LOG S: -4.43
• Polar Surface Area: 64.36 Å^2
• Rotatable Bonds: 6