5-{2,7-dimethylimidazo[1,2-a]pyridin-3-yl}-3-(oxolan-3-yl)-1,2,4-oxadiazole

• ChemBase ID: 359785
• Molecular Formular: C15H16N4O2
• Molecular Mass: 284.31314
• Monoisotopic Mass: 284.12732577
• SMILES: c1(c2nc(no2)C2COCC2)n2c(nc1C)cc(cc2)C
• Canonical SMILES: Cc1ccn2c(c1)nc(c2c1onc(n1)C1COCC1)C
• InChI: InChI=1S/C15H16N4O2/c1-9-3-5-19-12(7-9)16-10(2)13(19)15-17-14(18-21-15)11-4-6-20-8-11/h3,5,7,11H,4,6,8H2,1-2H3
• InChIKey: VZQVOUUWMLZLSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{2,7-dimethylimidazo[1,2-a]pyridin-3-yl}-3-(oxolan-3-yl)-1,2,4-oxadiazole
• IUPAC Traditional name: 5-{2,7-dimethylimidazo[1,2-a]pyridin-3-yl}-3-(oxolan-3-yl)-1,2,4-oxadiazole
• Synonyms: 2,7-dimethyl-3-[3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl]imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8866161
• LogD (pH = 7.4): 1.9307884
• Log P: 1.931383
• Molar Refractivity: 89.7844 cm^3
• Polarizability: 29.472572 Å^3
• Polar Surface Area: 65.45 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.2
• LOG S: -3.15
• Polar Surface Area: 65.45 Å^2
• Rotatable Bonds: 2