(3-{5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}phenyl)methanol

• ChemBase ID: 611951
• Molecular Formular: C20H14FN3O2
• Molecular Mass: 347.3424632
• Monoisotopic Mass: 347.10700492
• SMILES: n1c(noc1c1cnc(c2cc(CO)ccc2)cc1)c1c(F)cccc1
• Canonical SMILES: OCc1cccc(c1)c1ccc(cn1)c1onc(n1)c1ccccc1F
• InChI: InChI=1S/C20H14FN3O2/c21-17-7-2-1-6-16(17)19-23-20(26-24-19)15-8-9-18(22-11-15)14-5-3-4-13(10-14)12-25/h1-11,25H,12H2
• InChIKey: PQSITDFUBJRQEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-{5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}phenyl)methanol
• IUPAC Traditional name: (3-{5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}phenyl)methanol
• Synonyms: (3-{5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}phenyl)methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.905521
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.395558
• LogD (pH = 7.4): 4.3967433
• Log P: 4.396758
• Molar Refractivity: 116.8264 cm^3
• Polarizability: 38.16629 Å^3
• Polar Surface Area: 72.04 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.31
• LOG S: -4.56
• Polar Surface Area: 72.04 Å^2
• Rotatable Bonds: 4