2-(6-methoxypyridin-3-yl)-1,3-benzoxazole

• ChemBase ID: 340305
• Molecular Formular: C13H10N2O2
• Molecular Mass: 226.2307
• Monoisotopic Mass: 226.07422757
• SMILES: c1(nc2c(o1)cccc2)c1cnc(cc1)OC
• Canonical SMILES: COc1ccc(cn1)c1nc2c(o1)cccc2
• InChI: InChI=1S/C13H10N2O2/c1-16-12-7-6-9(8-14-12)13-15-10-4-2-3-5-11(10)17-13/h2-8H,1H3
• InChIKey: NVTJGZVUXUXVHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methoxypyridin-3-yl)-1,3-benzoxazole
• IUPAC Traditional name: 2-(6-methoxypyridin-3-yl)-1,3-benzoxazole
• Synonyms: 2-(6-methoxypyridin-3-yl)-1,3-benzoxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5637093
• LogD (pH = 7.4): 2.563749
• Log P: 2.5637496
• Molar Refractivity: 72.4445 cm^3
• Polarizability: 25.744118 Å^3
• Polar Surface Area: 48.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.79
• LOG S: -4.09
• Polar Surface Area: 48.15 Å^2
• Rotatable Bonds: 2