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

• ChemBase ID: 489183
• Molecular Formular: C21H17N3O3
• Molecular Mass: 359.37798
• Monoisotopic Mass: 359.12699142
• SMILES: n1c(onc1c1ccc(cc1)OC)c1cnc(c2ccc(cc2)CO)cc1
• Canonical SMILES: COc1ccc(cc1)c1noc(n1)c1ccc(nc1)c1ccc(cc1)CO
• InChI: InChI=1S/C21H17N3O3/c1-26-18-9-6-16(7-10-18)20-23-21(27-24-20)17-8-11-19(22-12-17)15-4-2-14(13-25)3-5-15/h2-12,25H,13H2,1H3
• InChIKey: GGIQPDLMNKGCQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.943139
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 4.052454
• LogD (pH = 7.4): 4.0536876
• Log P: 4.0537033
• Molar Refractivity: 123.0732 cm^3
• Polarizability: 41.047756 Å^3
• Polar Surface Area: 81.27 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: 3.85
• LOG S: -5.11
• Polar Surface Area: 81.27 Å^2
• Rotatable Bonds: 5