3-phenyl-1-(5-propyl-1,2-oxazole-4-carbonyl)piperazine

• ChemBase ID: 506812
• Molecular Formular: C17H21N3O2
• Molecular Mass: 299.36754
• Monoisotopic Mass: 299.16337693
• SMILES: c1(C(=O)N2CC(NCC2)c2ccccc2)c(onc1)CCC
• Canonical SMILES: CCCc1oncc1C(=O)N1CCNC(C1)c1ccccc1
• InChI: InChI=1S/C17H21N3O2/c1-2-6-16-14(11-19-22-16)17(21)20-10-9-18-15(12-20)13-7-4-3-5-8-13/h3-5,7-8,11,15,18H,2,6,9-10,12H2,1H3
• InChIKey: ZKTZPIZDNFHSSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenyl-1-(5-propyl-1,2-oxazole-4-carbonyl)piperazine
• IUPAC Traditional name: 3-phenyl-1-(5-propyl-1,2-oxazole-4-carbonyl)piperazine
• Synonyms: 3-phenyl-1-[(5-propylisoxazol-4-yl)carbonyl]piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.34447768
• LogD (pH = 7.4): 1.8343817
• Log P: 2.0507479
• Molar Refractivity: 85.6847 cm^3
• Polarizability: 32.353386 Å^3
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.86
• LOG S: -2.12
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 4