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

• ChemBase ID: 339489
• Molecular Formular: C18H17FN4O2
• Molecular Mass: 340.3515832
• Monoisotopic Mass: 340.13355402
• SMILES: n1c(noc1c1cnc(N2CC(O)CCC2)cc1)c1c(F)cccc1
• Canonical SMILES: OC1CCCN(C1)c1ccc(cn1)c1onc(n1)c1ccccc1F
• InChI: InChI=1S/C18H17FN4O2/c19-15-6-2-1-5-14(15)17-21-18(25-22-17)12-7-8-16(20-10-12)23-9-3-4-13(24)11-23/h1-2,5-8,10,13,24H,3-4,9,11H2
• InChIKey: HURQYNZFWKLCSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}piperidin-3-ol
• IUPAC Traditional name: 1-{5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}piperidin-3-ol
• Synonyms: 1-{5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl}-3-piperidinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.869829
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.6064944
• LogD (pH = 7.4): 3.6850367
• Log P: 3.6861405
• Molar Refractivity: 113.4919 cm^3
• Polarizability: 35.011543 Å^3
• Polar Surface Area: 75.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.94
• LOG S: -5.24
• Polar Surface Area: 75.28 Å^2
• Rotatable Bonds: 3