2-ethoxy-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyridine

• ChemBase ID: 576586
• Molecular Formular: C16H15N3O2
• Molecular Mass: 281.3092
• Monoisotopic Mass: 281.11642674
• SMILES: n1c(oc(n1)C)c1ccc(c2c(nccc2)OCC)cc1
• Canonical SMILES: CCOc1ncccc1c1ccc(cc1)c1nnc(o1)C
• InChI: InChI=1S/C16H15N3O2/c1-3-20-16-14(5-4-10-17-16)12-6-8-13(9-7-12)15-19-18-11(2)21-15/h4-10H,3H2,1-2H3
• InChIKey: LXVYMCLPEDAIPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyridine
• IUPAC Traditional name: 2-ethoxy-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyridine
• Synonyms: 2-ethoxy-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3250244
• LogD (pH = 7.4): 2.3256595
• Log P: 2.3256676
• Molar Refractivity: 91.0305 cm^3
• Polarizability: 31.905506 Å^3
• Polar Surface Area: 61.04 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: 1.8
• LOG S: -2.79
• Polar Surface Area: 61.04 Å^2
• Rotatable Bonds: 4