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

• ChemBase ID: 667931
• Molecular Formular: C17H26N4OS
• Molecular Mass: 334.47954
• Monoisotopic Mass: 334.18273247
• SMILES: n1c(onc1CC)CN(Cc1sc(cc1)CN1CCCCC1)C
• Canonical SMILES: CCc1noc(n1)CN(Cc1ccc(s1)CN1CCCCC1)C
• InChI: InChI=1S/C17H26N4OS/c1-3-16-18-17(22-19-16)13-20(2)11-14-7-8-15(23-14)12-21-9-5-4-6-10-21/h7-8H,3-6,9-13H2,1-2H3
• InChIKey: HYHJLSJDLWWLPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.13406733
• LogD (pH = 7.4): 2.0601013
• Log P: 3.5908017
• Molar Refractivity: 95.7664 cm^3
• Polarizability: 36.18426 Å^3
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.59
• LOG S: -2.84
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 7