5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(pyridin-3-yl)pyridine

• ChemBase ID: 758341
• Molecular Formular: C20H16N4O3
• Molecular Mass: 360.36604
• Monoisotopic Mass: 360.12224039
• SMILES: n1c(c2c(c(OC)ccc2)OC)noc1c1cnc(c2cnccc2)cc1
• Canonical SMILES: COc1c(OC)cccc1c1noc(n1)c1ccc(nc1)c1cccnc1
• InChI: InChI=1S/C20H16N4O3/c1-25-17-7-3-6-15(18(17)26-2)19-23-20(27-24-19)14-8-9-16(22-12-14)13-5-4-10-21-11-13/h3-12H,1-2H3
• InChIKey: HYMONNFHEACLLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(pyridin-3-yl)pyridine
• IUPAC Traditional name: 5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(pyridin-3-yl)pyridine
• Synonyms: 5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,3'-bipyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.3614435
• LogD (pH = 7.4): 3.3843818
• Log P: 3.3846838
• Molar Refractivity: 120.5636 cm^3
• Polarizability: 40.209324 Å^3
• Polar Surface Area: 83.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 3.38
• LOG S: -4.71
• Polar Surface Area: 83.16 Å^2
• Rotatable Bonds: 5