3-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-2,6-dimethoxypyridine

• ChemBase ID: 747468
• Molecular Formular: C17H16N4O3
• Molecular Mass: 324.33394
• Monoisotopic Mass: 324.12224039
• SMILES: n1c(noc1c1cnc(c2c(nc(cc2)OC)OC)cc1)C1CC1
• Canonical SMILES: COc1ccc(c(n1)OC)c1ccc(cn1)c1onc(n1)C1CC1
• InChI: InChI=1S/C17H16N4O3/c1-22-14-8-6-12(17(19-14)23-2)13-7-5-11(9-18-13)16-20-15(21-24-16)10-3-4-10/h5-10H,3-4H2,1-2H3
• InChIKey: VZMUKYIKHISGHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-2,6-dimethoxypyridine
• IUPAC Traditional name: 3-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-2,6-dimethoxypyridine
• Synonyms: 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2',6'-dimethoxy-2,3'-bipyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.5091572
• LogD (pH = 7.4): 3.5092897
• Log P: 3.5092914
• Molar Refractivity: 97.8031 cm^3
• Polarizability: 34.64014 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: 2.09
• LOG S: -3.35
• Polar Surface Area: 83.16 Å^2
• Rotatable Bonds: 5