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

• ChemBase ID: 690371
• Molecular Formular: C15H12FN3O2
• Molecular Mass: 285.2730832
• Monoisotopic Mass: 285.09135486
• SMILES: n1c(onc1C1COCC1)c1nc2c(F)cccc2cc1
• Canonical SMILES: Fc1cccc2c1nc(cc2)c1onc(n1)C1COCC1
• InChI: InChI=1S/C15H12FN3O2/c16-11-3-1-2-9-4-5-12(17-13(9)11)15-18-14(19-21-15)10-6-7-20-8-10/h1-5,10H,6-8H2
• InChIKey: ANTXHGLUICCGBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Donor: 0
• Log P: 2.12
• LOG S: -3.09
• Polar Surface Area: 61.04 Å^2
• Rotatable Bonds: 2
• H Acceptors: 5

JChem

• LogD (pH = 5.5): 3.0752313
• LogD (pH = 7.4): 3.0752313
• Log P: 3.0752313
• Molar Refractivity: 84.1615 cm^3
• Polarizability: 29.262005 Å^3
• Polar Surface Area: 61.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0