N-{[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(furan-2-yl)-2-oxoacetamide

• ChemBase ID: 390857
• Molecular Formular: C15H9F2N3O4
• Molecular Mass: 333.2464664
• Monoisotopic Mass: 333.05611222
• SMILES: c1(nc(no1)CNC(=O)C(=O)c1occc1)c1c(F)cccc1F
• Canonical SMILES: O=C(c1ccco1)C(=O)NCc1noc(n1)c1c(F)cccc1F
• InChI: InChI=1S/C15H9F2N3O4/c16-8-3-1-4-9(17)12(8)15-19-11(20-24-15)7-18-14(22)13(21)10-5-2-6-23-10/h1-6H,7H2,(H,18,22)
• InChIKey: NJCFPGRUYCJNOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(furan-2-yl)-2-oxoacetamide
• IUPAC Traditional name: N-{[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(furan-2-yl)-2-oxoacetamide
• Synonyms: N-{[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(2-furyl)-2-oxoacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.713311
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.1754825
• LogD (pH = 7.4): 2.1735828
• Log P: 2.1755068
• Molar Refractivity: 87.6393 cm^3
• Polarizability: 28.608566 Å^3
• Polar Surface Area: 98.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.61
• LOG S: -2.15
• Polar Surface Area: 98.23 Å^2
• Rotatable Bonds: 5