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

• ChemBase ID: 836199
• Molecular Formular: C13H15N3O3
• Molecular Mass: 261.2765
• Monoisotopic Mass: 261.11134136
• SMILES: n1c(c2c(nccc2)OCC)onc1C1COCC1
• Canonical SMILES: CCOc1ncccc1c1onc(n1)C1COCC1
• InChI: InChI=1S/C13H15N3O3/c1-2-18-12-10(4-3-6-14-12)13-15-11(16-19-13)9-5-7-17-8-9/h3-4,6,9H,2,5,7-8H2,1H3
• InChIKey: VWGZCODOLXBKBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.933185
• LogD (pH = 7.4): 1.933239
• Log P: 1.9332396
• Molar Refractivity: 79.7642 cm^3
• Polarizability: 26.477478 Å^3
• Polar Surface Area: 70.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.6
• LOG S: -2.47
• Polar Surface Area: 70.27 Å^2
• Rotatable Bonds: 4