1-(2,4-dimethylphenyl)-4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)piperazine

• ChemBase ID: 780703
• Molecular Formular: C18H24N4O2
• Molecular Mass: 328.40876
• Monoisotopic Mass: 328.18992603
• SMILES: c1(nnc(o1)CCC)C(=O)N1CCN(c2c(cc(cc2)C)C)CC1
• Canonical SMILES: CCCc1nnc(o1)C(=O)N1CCN(CC1)c1ccc(cc1C)C
• InChI: InChI=1S/C18H24N4O2/c1-4-5-16-19-20-17(24-16)18(23)22-10-8-21(9-11-22)15-7-6-13(2)12-14(15)3/h6-7,12H,4-5,8-11H2,1-3H3
• InChIKey: AMWBMSCLWBKYNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,4-dimethylphenyl)-4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)piperazine
• IUPAC Traditional name: 1-(2,4-dimethylphenyl)-4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)piperazine
• Synonyms: 1-(2,4-dimethylphenyl)-4-[(5-propyl-1,3,4-oxadiazol-2-yl)carbonyl]piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6484578
• LogD (pH = 7.4): 2.6632824
• Log P: 2.6634746
• Molar Refractivity: 95.6322 cm^3
• Polarizability: 34.648754 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.12
• LOG S: -3.4
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 4