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

• ChemBase ID: 839829
• Molecular Formular: C18H27N3O3
• Molecular Mass: 333.42528
• Monoisotopic Mass: 333.20524174
• SMILES: c1(noc(c1)CCC)C(=O)N1CCN(C(=O)C2CCCCC2)CC1
• Canonical SMILES: CCCc1onc(c1)C(=O)N1CCN(CC1)C(=O)C1CCCCC1
• InChI: InChI=1S/C18H27N3O3/c1-2-6-15-13-16(19-24-15)18(23)21-11-9-20(10-12-21)17(22)14-7-4-3-5-8-14/h13-14H,2-12H2,1H3
• InChIKey: HOVQPRYTTRMASK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexanecarbonyl-4-(5-propyl-1,2-oxazole-3-carbonyl)piperazine
• IUPAC Traditional name: 1-cyclohexanecarbonyl-4-(5-propyl-1,2-oxazole-3-carbonyl)piperazine
• Synonyms: 1-(cyclohexylcarbonyl)-4-[(5-propyl-3-isoxazolyl)carbonyl]piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3758018
• LogD (pH = 7.4): 2.3758025
• Log P: 2.3758025
• Molar Refractivity: 91.798 cm^3
• Polarizability: 34.651413 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: 1.18
• LOG S: -2.64
• Polar Surface Area: 66.65 Å^2
• Rotatable Bonds: 4