1-(1-benzyl-1H-pyrazole-4-carbonyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine

• ChemBase ID: 819877
• Molecular Formular: C19H22N6O2
• Molecular Mass: 366.41698
• Monoisotopic Mass: 366.18042397
• SMILES: c1(C(=O)N2CCN(Cc3nc(on3)C)CC2)cn(nc1)Cc1ccccc1
• Canonical SMILES: Cc1onc(n1)CN1CCN(CC1)C(=O)c1cnn(c1)Cc1ccccc1
• InChI: InChI=1S/C19H22N6O2/c1-15-21-18(22-27-15)14-23-7-9-24(10-8-23)19(26)17-11-20-25(13-17)12-16-5-3-2-4-6-16/h2-6,11,13H,7-10,12,14H2,1H3
• InChIKey: DIARDQFAWKAFMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-benzyl-1H-pyrazole-4-carbonyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine
• IUPAC Traditional name: 1-(1-benzylpyrazole-4-carbonyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine
• Synonyms: 1-[(1-benzyl-1H-pyrazol-4-yl)carbonyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.3263775
• LogD (pH = 7.4): 1.3424109
• Log P: 1.3426192
• Molar Refractivity: 113.676 cm^3
• Polarizability: 37.82956 Å^3
• Polar Surface Area: 80.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.07
• LOG S: -2.79
• Polar Surface Area: 80.29 Å^2
• Rotatable Bonds: 5