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

• ChemBase ID: 531312
• Molecular Formular: C13H12N4O2
• Molecular Mass: 256.25998
• Monoisotopic Mass: 256.09602564
• SMILES: n1c(c2cn3c(ncc3)cc2)onc1C1COCC1
• Canonical SMILES: C1OCC(C1)c1noc(n1)c1ccc2n(c1)ccn2
• InChI: InChI=1S/C13H12N4O2/c1-2-11-14-4-5-17(11)7-9(1)13-15-12(16-19-13)10-3-6-18-8-10/h1-2,4-5,7,10H,3,6,8H2
• InChIKey: RHEMJHZTIOPQAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{imidazo[1,2-a]pyridin-6-yl}-3-(oxolan-3-yl)-1,2,4-oxadiazole
• IUPAC Traditional name: 5-{imidazo[1,2-a]pyridin-6-yl}-3-(oxolan-3-yl)-1,2,4-oxadiazole
• Synonyms: 6-[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): 0.8084098
• LogD (pH = 7.4): 1.3387978
• Log P: 1.3552207
• Molar Refractivity: 80.2742 cm^3
• Polarizability: 25.954962 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: 0.91
• LOG S: -1.85
• Polar Surface Area: 65.45 Å^2
• Rotatable Bonds: 2