1-(2-methoxybenzoyl)-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazine

• ChemBase ID: 856095
• Molecular Formular: C17H19N3O4
• Molecular Mass: 329.35046
• Monoisotopic Mass: 329.1375561
• SMILES: c1(C(=O)N2CCN(C(=O)c3c(OC)cccc3)CC2)ncoc1C
• Canonical SMILES: COc1ccccc1C(=O)N1CCN(CC1)C(=O)c1ncoc1C
• InChI: InChI=1S/C17H19N3O4/c1-12-15(18-11-24-12)17(22)20-9-7-19(8-10-20)16(21)13-5-3-4-6-14(13)23-2/h3-6,11H,7-10H2,1-2H3
• InChIKey: XYZOCCDWZYWHTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxybenzoyl)-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazine
• IUPAC Traditional name: 1-(2-methoxybenzoyl)-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazine
• Synonyms: 1-(2-methoxybenzoyl)-4-[(5-methyl-1,3-oxazol-4-yl)carbonyl]piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.5690583
• LogD (pH = 7.4): 0.56905836
• Log P: 0.56905836
• Molar Refractivity: 87.8719 cm^3
• Polarizability: 32.578766 Å^3
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.92
• LOG S: -2.13
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 3