[5-(1-{[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1H-imidazol-2-yl)furan-2-yl]methanol

• ChemBase ID: 491936
• Molecular Formular: C17H13FN4O3
• Molecular Mass: 340.3085232
• Monoisotopic Mass: 340.09716852
• SMILES: c1(nc(on1)Cn1c(c2oc(cc2)CO)ncc1)c1c(F)cccc1
• Canonical SMILES: OCc1ccc(o1)c1nccn1Cc1onc(n1)c1ccccc1F
• InChI: InChI=1S/C17H13FN4O3/c18-13-4-2-1-3-12(13)16-20-15(25-21-16)9-22-8-7-19-17(22)14-6-5-11(10-23)24-14/h1-8,23H,9-10H2
• InChIKey: QYILJQSHMATWRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(1-{[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1H-imidazol-2-yl)furan-2-yl]methanol
• IUPAC Traditional name: [5-(1-{[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}imidazol-2-yl)furan-2-yl]methanol
• Synonyms: [5-(1-{[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1H-imidazol-2-yl)-2-furyl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.70511
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.4105978
• LogD (pH = 7.4): 2.4884644
• Log P: 2.4895687
• Molar Refractivity: 108.2786 cm^3
• Polarizability: 33.21049 Å^3
• Polar Surface Area: 90.11 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: 0.94
• LOG S: -2.48
• Polar Surface Area: 90.11 Å^2
• Rotatable Bonds: 5