4-{2-[3-(thiophen-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}morpholine

• ChemBase ID: 440874
• Molecular Formular: C12H15N3O2S
• Molecular Mass: 265.3314
• Monoisotopic Mass: 265.08849774
• SMILES: c1(nc(on1)CCN1CCOCC1)c1cscc1
• Canonical SMILES: O1CCN(CC1)CCc1onc(n1)c1cscc1
• InChI: InChI=1S/C12H15N3O2S/c1(3-15-4-6-16-7-5-15)11-13-12(14-17-11)10-2-8-18-9-10/h2,8-9H,1,3-7H2
• InChIKey: BHWKWMFKUXULLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-[3-(thiophen-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}morpholine
• IUPAC Traditional name: 4-{2-[3-(thiophen-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}morpholine
• Synonyms: 4-{2-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]ethyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.5795255
• LogD (pH = 7.4): 1.7890235
• Log P: 1.8830323
• Molar Refractivity: 80.8346 cm^3
• Polarizability: 26.879353 Å^3
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.28
• LOG S: -1.22
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 4