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

• ChemBase ID: 661589
• Molecular Formular: C12H15N3O2S
• Molecular Mass: 265.3314
• Monoisotopic Mass: 265.08849774
• SMILES: c1(nc(on1)CCN1CCOCC1)c1sccc1
• Canonical SMILES: O1CCN(CC1)CCc1onc(n1)c1cccs1
• InChI: InChI=1S/C12H15N3O2S/c1-2-10(18-9-1)12-13-11(17-14-12)3-4-15-5-7-16-8-6-15/h1-2,9H,3-8H2
• InChIKey: JTXRNGRMIXZDCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.4856874
• LogD (pH = 7.4): 1.6919799
• Log P: 1.7851623
• Molar Refractivity: 80.6187 cm^3
• Polarizability: 26.886354 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: 1.49
• LOG S: -1.4
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 4