7-fluoro-3-methyl-N-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-1-benzofuran-2-carboxamide

• ChemBase ID: 642573
• Molecular Formular: C17H16FN3O4
• Molecular Mass: 345.3250432
• Monoisotopic Mass: 345.11248423
• SMILES: c1(oc2c(c1C)cccc2F)C(=O)NCc1nc(on1)C1OCCC1
• Canonical SMILES: O=C(c1oc2c(c1C)cccc2F)NCc1noc(n1)C1CCCO1
• InChI: InChI=1S/C17H16FN3O4/c1-9-10-4-2-5-11(18)15(10)24-14(9)16(22)19-8-13-20-17(25-21-13)12-6-3-7-23-12/h2,4-5,12H,3,6-8H2,1H3,(H,19,22)
• InChIKey: XHDOPDPJTCILOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoro-3-methyl-N-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-1-benzofuran-2-carboxamide
• IUPAC Traditional name: 7-fluoro-3-methyl-N-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-1-benzofuran-2-carboxamide
• Synonyms: 7-fluoro-3-methyl-N-{[5-(tetrahydro-2-furanyl)-1,2,4-oxadiazol-3-yl]methyl}-1-benzofuran-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.7338295
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3290093
• LogD (pH = 7.4): 2.3290093
• Log P: 2.3290093
• Molar Refractivity: 86.9291 cm^3
• Polarizability: 32.96098 Å^3
• Polar Surface Area: 90.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.6
• LOG S: -3.08
• Polar Surface Area: 90.39 Å^2
• Rotatable Bonds: 4