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

• ChemBase ID: 765159
• Molecular Formular: C17H15N5O3
• Molecular Mass: 337.3327
• Monoisotopic Mass: 337.11748937
• SMILES: c1(nc(on1)CCn1c(c2oc(cc2)CO)ncc1)c1ncccc1
• Canonical SMILES: OCc1ccc(o1)c1nccn1CCc1onc(n1)c1ccccn1
• InChI: InChI=1S/C17H15N5O3/c23-11-12-4-5-14(24-12)17-19-8-10-22(17)9-6-15-20-16(21-25-15)13-3-1-2-7-18-13/h1-5,7-8,10,23H,6,9,11H2
• InChIKey: WXZPXPPSPMCNPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.705857
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.5974164
• LogD (pH = 7.4): 1.6854576
• Log P: 1.6867244
• Molar Refractivity: 110.2327 cm^3
• Polarizability: 34.38816 Å^3
• Polar Surface Area: 103.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: -0.01
• LOG S: -2.96
• Polar Surface Area: 103.0 Å^2
• Rotatable Bonds: 6