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

• ChemBase ID: 371192
• Molecular Formular: C17H21N3O3
• Molecular Mass: 315.36694
• Monoisotopic Mass: 315.15829155
• SMILES: c1(C(=O)N2CCN(CC2)CCOc2ccccc2)ncoc1C
• Canonical SMILES: O=C(c1ncoc1C)N1CCN(CC1)CCOc1ccccc1
• InChI: InChI=1S/C17H21N3O3/c1-14-16(18-13-23-14)17(21)20-9-7-19(8-10-20)11-12-22-15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3
• InChIKey: IJIHUGQUHZAJEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.40392625
• LogD (pH = 7.4): 1.2545345
• Log P: 1.2897104
• Molar Refractivity: 87.0192 cm^3
• Polarizability: 33.051888 Å^3
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.53
• LOG S: -1.95
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 5