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

• ChemBase ID: 846613
• Molecular Formular: C14H20N4O2S
• Molecular Mass: 308.3992
• Monoisotopic Mass: 308.1306969
• SMILES: c1(nc(on1)CN(CCN1CCOCC1)C)c1sccc1
• Canonical SMILES: CN(Cc1onc(n1)c1cccs1)CCN1CCOCC1
• InChI: InChI=1S/C14H20N4O2S/c1-17(4-5-18-6-8-19-9-7-18)11-13-15-14(16-20-13)12-3-2-10-21-12/h2-3,10H,4-9,11H2,1H3
• InChIKey: GWQRSSVDIAEGHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(morpholin-4-yl)ethyl]{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}amine
• IUPAC Traditional name: methyl[2-(morpholin-4-yl)ethyl]{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}amine
• Synonyms: N-methyl-2-(4-morpholinyl)-N-{[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl}ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.17914622
• LogD (pH = 7.4): 1.3541415
• Log P: 1.5952494
• Molar Refractivity: 93.9384 cm^3
• Polarizability: 32.16034 Å^3
• Polar Surface Area: 54.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.76
• LOG S: 0.59
• Polar Surface Area: 54.63 Å^2
• Rotatable Bonds: 6