3-{imidazo[1,2-a]pyridin-2-yl}-5-(1-methyl-3-propyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole

• ChemBase ID: 826784
• Molecular Formular: C16H16N6O
• Molecular Mass: 308.33784
• Monoisotopic Mass: 308.13855916
• SMILES: c1(c2nc(c3nc4n(c3)cccc4)no2)n(nc(c1)CCC)C
• Canonical SMILES: CCCc1cc(n(n1)C)c1onc(n1)c1nc2n(c1)cccc2
• InChI: InChI=1S/C16H16N6O/c1-3-6-11-9-13(21(2)19-11)16-18-15(20-23-16)12-10-22-8-5-4-7-14(22)17-12/h4-5,7-10H,3,6H2,1-2H3
• InChIKey: XBSMGPAORFGGGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-yl}-5-(1-methyl-3-propyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-yl}-5-(2-methyl-5-propylpyrazol-3-yl)-1,2,4-oxadiazole
• Synonyms: 2-[5-(1-methyl-3-propyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.9948385
• LogD (pH = 7.4): 3.0433557
• Log P: 3.0440123
• Molar Refractivity: 119.2935 cm^3
• Polarizability: 32.993484 Å^3
• Polar Surface Area: 74.04 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: 2.96
• LOG S: -3.98
• Polar Surface Area: 74.04 Å^2
• Rotatable Bonds: 4