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

• ChemBase ID: 408907
• Molecular Formular: C15H11N5O2
• Molecular Mass: 293.28014
• Monoisotopic Mass: 293.09127462
• SMILES: c1(c2nc(no2)c2c(OC)cccc2)nc2n(c1)cccn2
• Canonical SMILES: COc1ccccc1c1noc(n1)c1cn2c(n1)nccc2
• InChI: InChI=1S/C15H11N5O2/c1-21-12-6-3-2-5-10(12)13-18-14(22-19-13)11-9-20-8-4-7-16-15(20)17-11/h2-9H,1H3
• InChIKey: VQQFDHRWAQPNKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.4678252
• LogD (pH = 7.4): 2.4678762
• Log P: 2.4678767
• Molar Refractivity: 102.0096 cm^3
• Polarizability: 30.62021 Å^3
• Polar Surface Area: 78.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.36
• LOG S: -2.5
• Polar Surface Area: 78.34 Å^2
• Rotatable Bonds: 3