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

• ChemBase ID: 561795
• Molecular Formular: C17H23ClN4O
• Molecular Mass: 334.84372
• Monoisotopic Mass: 334.15603906
• SMILES: n1c(noc1CN(CCN1CCCCC1)C)c1ccc(cc1)Cl
• Canonical SMILES: CN(Cc1onc(n1)c1ccc(cc1)Cl)CCN1CCCCC1
• InChI: InChI=1S/C17H23ClN4O/c1-21(11-12-22-9-3-2-4-10-22)13-16-19-17(20-23-16)14-5-7-15(18)8-6-14/h5-8H,2-4,9-13H2,1H3
• InChIKey: HWJPYYPCFQQPOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}(methyl)[2-(piperidin-1-yl)ethyl]amine
• IUPAC Traditional name: {[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}(methyl)[2-(piperidin-1-yl)ethyl]amine
• Synonyms: N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-2-(1-piperidinyl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.44422826
• LogD (pH = 7.4): 2.169474
• Log P: 3.607711
• Molar Refractivity: 104.9208 cm^3
• Polarizability: 36.477448 Å^3
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.79
• LOG S: -1.76
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 6