2-(2,3-dihydro-1-benzofuran-7-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine

• ChemBase ID: 480186
• Molecular Formular: C16H13N3O2
• Molecular Mass: 279.29332
• Monoisotopic Mass: 279.10077667
• SMILES: n1c(onc1C)c1cc(c2c3OCCc3ccc2)ncc1
• Canonical SMILES: Cc1noc(n1)c1ccnc(c1)c1cccc2c1OCC2
• InChI: InChI=1S/C16H13N3O2/c1-10-18-16(21-19-10)12-5-7-17-14(9-12)13-4-2-3-11-6-8-20-15(11)13/h2-5,7,9H,6,8H2,1H3
• InChIKey: HDFWMHSXIBNVSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1-benzofuran-7-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine
• IUPAC Traditional name: 2-(2,3-dihydro-1-benzofuran-7-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine
• Synonyms: 2-(2,3-dihydro-1-benzofuran-7-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0030696
• LogD (pH = 7.4): 3.0030825
• Log P: 3.0030828
• Molar Refractivity: 88.7802 cm^3
• Polarizability: 31.09278 Å^3
• Polar Surface Area: 61.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.27
• LOG S: -3.18
• Polar Surface Area: 61.04 Å^2
• Rotatable Bonds: 2