5-{6-chloroimidazo[1,2-a]pyridin-2-yl}-3-(oxolan-3-yl)-1,2,4-oxadiazole

• ChemBase ID: 320247
• Molecular Formular: C13H11ClN4O2
• Molecular Mass: 290.70504
• Monoisotopic Mass: 290.05705329
• SMILES: c1(c2nc(no2)C2COCC2)nc2n(c1)cc(cc2)Cl
• Canonical SMILES: Clc1ccc2n(c1)cc(n2)c1onc(n1)C1COCC1
• InChI: InChI=1S/C13H11ClN4O2/c14-9-1-2-11-15-10(6-18(11)5-9)13-16-12(17-20-13)8-3-4-19-7-8/h1-2,5-6,8H,3-4,7H2
• InChIKey: VZVOLKRTAWUVPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{6-chloroimidazo[1,2-a]pyridin-2-yl}-3-(oxolan-3-yl)-1,2,4-oxadiazole
• IUPAC Traditional name: 5-{6-chloroimidazo[1,2-a]pyridin-2-yl}-3-(oxolan-3-yl)-1,2,4-oxadiazole
• Synonyms: 6-chloro-2-[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): 2.2717981
• LogD (pH = 7.4): 2.3060663
• Log P: 2.306522
• Molar Refractivity: 84.707 cm^3
• Polarizability: 27.894627 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: 1.92
• LOG S: -2.96
• Polar Surface Area: 65.45 Å^2
• Rotatable Bonds: 2