1-benzoyl-4-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]piperazine

• ChemBase ID: 688267
• Molecular Formular: C19H23N3O3
• Molecular Mass: 341.40422
• Monoisotopic Mass: 341.17394161
• SMILES: c1(noc(c1)CC(C)C)C(=O)N1CCN(C(=O)c2ccccc2)CC1
• Canonical SMILES: CC(Cc1onc(c1)C(=O)N1CCN(CC1)C(=O)c1ccccc1)C
• InChI: InChI=1S/C19H23N3O3/c1-14(2)12-16-13-17(20-25-16)19(24)22-10-8-21(9-11-22)18(23)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3
• InChIKey: WUOBNOWNYNSOHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzoyl-4-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]piperazine
• IUPAC Traditional name: 1-benzoyl-4-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]piperazine
• Synonyms: 1-benzoyl-4-[(5-isobutylisoxazol-3-yl)carbonyl]piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4034936
• LogD (pH = 7.4): 2.403494
• Log P: 2.403494
• Molar Refractivity: 95.8149 cm^3
• Polarizability: 35.53269 Å^3
• Polar Surface Area: 66.65 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: 2.16
• LOG S: -3.54
• Polar Surface Area: 66.65 Å^2
• Rotatable Bonds: 4