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

• ChemBase ID: 585949
• Molecular Formular: C23H21N3O2
• Molecular Mass: 371.43174
• Monoisotopic Mass: 371.16337693
• SMILES: n1c(onc1CCCc1ccccc1)c1cnc(c2c(CO)cccc2)cc1
• Canonical SMILES: OCc1ccccc1c1ccc(cn1)c1onc(n1)CCCc1ccccc1
• InChI: InChI=1S/C23H21N3O2/c27-16-19-10-4-5-11-20(19)21-14-13-18(15-24-21)23-25-22(26-28-23)12-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11,13-15,27H,6,9,12,16H2
• InChIKey: SOMIQHRISBEWOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.085692
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 5.052526
• LogD (pH = 7.4): 5.053037
• Log P: 5.053044
• Molar Refractivity: 119.7472 cm^3
• Polarizability: 43.233967 Å^3
• Polar Surface Area: 72.04 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 4.12
• LOG S: -5.43
• Polar Surface Area: 72.04 Å^2
• Rotatable Bonds: 7