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

• ChemBase ID: 676977
• Molecular Formular: C13H14N4O2
• Molecular Mass: 258.27586
• Monoisotopic Mass: 258.11167571
• SMILES: c1(c2nc(no2)CCOC)nc2n(c1)cc(cc2)C
• Canonical SMILES: COCCc1noc(n1)c1cn2c(n1)ccc(c2)C
• InChI: InChI=1S/C13H14N4O2/c1-9-3-4-12-14-10(8-17(12)7-9)13-15-11(16-19-13)5-6-18-2/h3-4,7-8H,5-6H2,1-2H3
• InChIKey: OLZTVICCLDWXHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyethyl)-5-{6-methylimidazo[1,2-a]pyridin-2-yl}-1,2,4-oxadiazole
• IUPAC Traditional name: 3-(2-methoxyethyl)-5-{6-methylimidazo[1,2-a]pyridin-2-yl}-1,2,4-oxadiazole
• Synonyms: 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-6-methylimidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1028535
• LogD (pH = 7.4): 2.1724322
• Log P: 2.1733987
• Molar Refractivity: 82.1005 cm^3
• Polarizability: 26.610699 Å^3
• Polar Surface Area: 65.45 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: 1.97
• LOG S: -2.77
• Polar Surface Area: 65.45 Å^2
• Rotatable Bonds: 4