1-(furan-2-carbonyl)-4-(1,2-oxazole-3-carbonyl)piperazine

• ChemBase ID: 554592
• Molecular Formular: C13H13N3O4
• Molecular Mass: 275.26002
• Monoisotopic Mass: 275.09060591
• SMILES: c1(C(=O)N2CCN(C(=O)c3occc3)CC2)nocc1
• Canonical SMILES: O=C(c1ccon1)N1CCN(CC1)C(=O)c1ccco1
• InChI: InChI=1S/C13H13N3O4/c17-12(10-3-9-20-14-10)15-4-6-16(7-5-15)13(18)11-2-1-8-19-11/h1-3,8-9H,4-7H2
• InChIKey: NILDJKXCFKEXNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-carbonyl)-4-(1,2-oxazole-3-carbonyl)piperazine
• IUPAC Traditional name: 1-(furan-2-carbonyl)-4-(1,2-oxazole-3-carbonyl)piperazine
• Synonyms: 1-(2-furoyl)-4-(3-isoxazolylcarbonyl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.010068961
• LogD (pH = 7.4): 0.010068966
• Log P: 0.010068966
• Molar Refractivity: 69.3825 cm^3
• Polarizability: 25.269806 Å^3
• Polar Surface Area: 79.79 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.39
• LOG S: -1.28
• Polar Surface Area: 79.79 Å^2
• Rotatable Bonds: 2