3-{[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]oxy}pyridine

• ChemBase ID: 488362
• Molecular Formular: C15H20N4O2
• Molecular Mass: 288.3449
• Monoisotopic Mass: 288.1586259
• SMILES: c1(oc(nn1)CCC)N1CCC(CC1)Oc1cnccc1
• Canonical SMILES: CCCc1nnc(o1)N1CCC(CC1)Oc1cccnc1
• InChI: InChI=1S/C15H20N4O2/c1-2-4-14-17-18-15(21-14)19-9-6-12(7-10-19)20-13-5-3-8-16-11-13/h3,5,8,11-12H,2,4,6-7,9-10H2,1H3
• InChIKey: AIWVJKHZFSQNKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]oxy}pyridine
• IUPAC Traditional name: 3-{[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]oxy}pyridine
• Synonyms: 3-{[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]oxy}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.3814459
• LogD (pH = 7.4): 1.4487398
• Log P: 1.4496875
• Molar Refractivity: 80.3814 cm^3
• Polarizability: 29.900547 Å^3
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.51
• LOG S: -2.59
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 5