2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylpyridine

• ChemBase ID: 315838
• Molecular Formular: C15H13N3O2
• Molecular Mass: 267.28262
• Monoisotopic Mass: 267.10077667
• SMILES: n1c(onc1c1c(OC)cccc1)c1ncccc1C
• Canonical SMILES: COc1ccccc1c1noc(n1)c1ncccc1C
• InChI: InChI=1S/C15H13N3O2/c1-10-6-5-9-16-13(10)15-17-14(18-20-15)11-7-3-4-8-12(11)19-2/h3-9H,1-2H3
• InChIKey: LDBBRBZIJRAUOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylpyridine
• IUPAC Traditional name: 2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylpyridine
• Synonyms: 2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylpyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.6573873
• LogD (pH = 7.4): 3.6573875
• Log P: 3.6573875
• Molar Refractivity: 96.1623 cm^3
• Polarizability: 29.397217 Å^3
• Polar Surface Area: 61.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.18
• LOG S: -3.01
• Polar Surface Area: 61.04 Å^2
• Rotatable Bonds: 3