8-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]quinoline

• ChemBase ID: 521363
• Molecular Formular: C15H13N3O2
• Molecular Mass: 267.28262
• Monoisotopic Mass: 267.10077667
• SMILES: n1c(c2c3ncccc3ccc2)onc1C1COCC1
• Canonical SMILES: C1OCC(C1)c1noc(n1)c1cccc2c1nccc2
• InChI: InChI=1S/C15H13N3O2/c1-3-10-4-2-7-16-13(10)12(5-1)15-17-14(18-20-15)11-6-8-19-9-11/h1-5,7,11H,6,8-9H2
• InChIKey: PGOJVPIXLRFLCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]quinoline
• IUPAC Traditional name: 8-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]quinoline
• Synonyms: 8-[3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl]quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5393236
• LogD (pH = 7.4): 2.5411246
• Log P: 2.5411477
• Molar Refractivity: 84.3171 cm^3
• Polarizability: 29.59092 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: 0.84
• LOG S: -1.87
• Polar Surface Area: 61.04 Å^2
• Rotatable Bonds: 2