1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(3-methylphenyl)piperazine

• ChemBase ID: 502410
• Molecular Formular: C17H24N4O
• Molecular Mass: 300.39866
• Monoisotopic Mass: 300.19501141
• SMILES: n1c(onc1CC)CCN1CCN(c2cc(ccc2)C)CC1
• Canonical SMILES: CCc1noc(n1)CCN1CCN(CC1)c1cccc(c1)C
• InChI: InChI=1S/C17H24N4O/c1-3-16-18-17(22-19-16)7-8-20-9-11-21(12-10-20)15-6-4-5-14(2)13-15/h4-6,13H,3,7-12H2,1-2H3
• InChIKey: NNUSHJPSEINULN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(3-methylphenyl)piperazine
• IUPAC Traditional name: 1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(3-methylphenyl)piperazine
• Synonyms: 1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(3-methylphenyl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5348057
• LogD (pH = 7.4): 3.1911623
• Log P: 3.5671663
• Molar Refractivity: 90.0843 cm^3
• Polarizability: 33.305676 Å^3
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.65
• LOG S: -2.65
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 5