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

• ChemBase ID: 445249
• Molecular Formular: C17H14N4O2
• Molecular Mass: 306.31866
• Monoisotopic Mass: 306.11167571
• SMILES: c1(c2nc(no2)Cc2c(OC)cccc2)nc2n(c1)cccc2
• Canonical SMILES: COc1ccccc1Cc1noc(n1)c1nc2n(c1)cccc2
• InChI: InChI=1S/C17H14N4O2/c1-22-14-7-3-2-6-12(14)10-15-19-17(23-20-15)13-11-21-9-5-4-8-16(21)18-13/h2-9,11H,10H2,1H3
• InChIKey: XLSRELIQUCIOPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.2855642
• LogD (pH = 7.4): 3.3219297
• Log P: 3.3224146
• Molar Refractivity: 97.0916 cm^3
• Polarizability: 32.56441 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: 2.89
• LOG S: -3.9
• Polar Surface Area: 65.45 Å^2
• Rotatable Bonds: 4