3-(5-{[(2-ethyl-6-methylpyridin-3-yl)oxy]methyl}-1,2,4-oxadiazol-3-yl)pyridazine

• ChemBase ID: 667298
• Molecular Formular: C15H15N5O2
• Molecular Mass: 297.3119
• Monoisotopic Mass: 297.12257475
• SMILES: c1(nc(on1)COc1c(nc(cc1)C)CC)c1nnccc1
• Canonical SMILES: CCc1nc(C)ccc1OCc1onc(n1)c1cccnn1
• InChI: InChI=1S/C15H15N5O2/c1-3-11-13(7-6-10(2)17-11)21-9-14-18-15(20-22-14)12-5-4-8-16-19-12/h4-8H,3,9H2,1-2H3
• InChIKey: QDIYRTYNMQLYBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(5-{[(2-ethyl-6-methylpyridin-3-yl)oxy]methyl}-1,2,4-oxadiazol-3-yl)pyridazine
• IUPAC Traditional name: 3-(5-{[(2-ethyl-6-methylpyridin-3-yl)oxy]methyl}-1,2,4-oxadiazol-3-yl)pyridazine
• Synonyms: 3-(5-{[(2-ethyl-6-methyl-3-pyridinyl)oxy]methyl}-1,2,4-oxadiazol-3-yl)pyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.0593761
• LogD (pH = 7.4): 1.6620104
• Log P: 1.6795036
• Molar Refractivity: 91.4754 cm^3
• Polarizability: 30.55612 Å^3
• Polar Surface Area: 86.82 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: 2.24
• LOG S: -3.28
• Polar Surface Area: 86.82 Å^2
• Rotatable Bonds: 5