4-{2-methoxy-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]phenyl}morpholine

• ChemBase ID: 403542
• Molecular Formular: C17H21N3O4
• Molecular Mass: 331.36634
• Monoisotopic Mass: 331.15320617
• SMILES: n1c(noc1c1cc(N2CCOCC2)c(cc1)OC)C1COCC1
• Canonical SMILES: COc1ccc(cc1N1CCOCC1)c1onc(n1)C1COCC1
• InChI: InChI=1S/C17H21N3O4/c1-21-15-3-2-12(10-14(15)20-5-8-22-9-6-20)17-18-16(19-24-17)13-4-7-23-11-13/h2-3,10,13H,4-9,11H2,1H3
• InChIKey: SBUPZKSGSIIIGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.1006596
• LogD (pH = 7.4): 2.1006603
• Log P: 2.1006603
• Molar Refractivity: 100.3621 cm^3
• Polarizability: 33.988598 Å^3
• Polar Surface Area: 69.85 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: 1.24
• LOG S: -2.67
• Polar Surface Area: 69.85 Å^2
• Rotatable Bonds: 4