(5-{[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl}furan-2-yl)methanol

• ChemBase ID: 553280
• Molecular Formular: C19H21N3O3
• Molecular Mass: 339.38834
• Monoisotopic Mass: 339.15829155
• SMILES: n1c(onc1c1ccccc1)C1CN(Cc2oc(cc2)CO)CCC1
• Canonical SMILES: OCc1ccc(o1)CN1CCCC(C1)c1onc(n1)c1ccccc1
• InChI: InChI=1S/C19H21N3O3/c23-13-17-9-8-16(24-17)12-22-10-4-7-15(11-22)19-20-18(21-25-19)14-5-2-1-3-6-14/h1-3,5-6,8-9,15,23H,4,7,10-13H2
• InChIKey: QDBDBNIRMPUGLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.726014
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.10634262
• LogD (pH = 7.4): 1.6701698
• Log P: 2.823337
• Molar Refractivity: 105.7951 cm^3
• Polarizability: 36.39606 Å^3
• Polar Surface Area: 75.53 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: 2.08
• LOG S: -2.45
• Polar Surface Area: 75.53 Å^2
• Rotatable Bonds: 5