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

• ChemBase ID: 520164
• Molecular Formular: C16H15N3O3
• Molecular Mass: 297.3086
• Monoisotopic Mass: 297.11134136
• SMILES: n1c(c2nc3c(c(c2)OC)cccc3)onc1C1COCC1
• Canonical SMILES: COc1cc(nc2c1cccc2)c1onc(n1)C1COCC1
• InChI: InChI=1S/C16H15N3O3/c1-20-14-8-13(17-12-5-3-2-4-11(12)14)16-18-15(19-22-16)10-6-7-21-9-10/h2-5,8,10H,6-7,9H2,1H3
• InChIKey: WEMRHXNBPDLKED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.7321758
• LogD (pH = 7.4): 2.7321765
• Log P: 2.7321765
• Molar Refractivity: 90.4083 cm^3
• Polarizability: 32.11144 Å^3
• Polar Surface Area: 70.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.53
• LOG S: -3.53
• Polar Surface Area: 70.27 Å^2
• Rotatable Bonds: 3