3-[2-(3-{imidazo[1,2-a]pyridin-2-yl}-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpiperidine

• ChemBase ID: 715762
• Molecular Formular: C17H21N5O
• Molecular Mass: 311.38154
• Monoisotopic Mass: 311.17461032
• SMILES: c1(c2nc(on2)CCC2CN(CCC2)C)nc2n(c1)cccc2
• Canonical SMILES: CN1CCCC(C1)CCc1onc(n1)c1nc2n(c1)cccc2
• InChI: InChI=1S/C17H21N5O/c1-21-9-4-5-13(11-21)7-8-16-19-17(20-23-16)14-12-22-10-3-2-6-15(22)18-14/h2-3,6,10,12-13H,4-5,7-9,11H2,1H3
• InChIKey: FFKCMWZXHOQXKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(3-{imidazo[1,2-a]pyridin-2-yl}-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpiperidine
• IUPAC Traditional name: 3-[2-(3-{imidazo[1,2-a]pyridin-2-yl}-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpiperidine
• Synonyms: 2-{5-[2-(1-methyl-3-piperidinyl)ethyl]-1,2,4-oxadiazol-3-yl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.500945
• LogD (pH = 7.4): 1.1980268
• Log P: 2.8212843
• Molar Refractivity: 100.8577 cm^3
• Polarizability: 34.139908 Å^3
• Polar Surface Area: 59.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.05
• LOG S: -3.07
• Polar Surface Area: 59.46 Å^2
• Rotatable Bonds: 4