1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(2-phenoxyethyl)piperazine

• ChemBase ID: 583340
• Molecular Formular: C17H23N3O2
• Molecular Mass: 301.38342
• Monoisotopic Mass: 301.17902699
• SMILES: n1c(coc1C)CN1CCN(CC1)CCOc1ccccc1
• Canonical SMILES: Cc1occ(n1)CN1CCN(CC1)CCOc1ccccc1
• InChI: InChI=1S/C17H23N3O2/c1-15-18-16(14-22-15)13-20-9-7-19(8-10-20)11-12-21-17-5-3-2-4-6-17/h2-6,14H,7-13H2,1H3
• InChIKey: OFDNJOBNRQVOJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.40213358
• LogD (pH = 7.4): 1.2192655
• Log P: 1.5522398
• Molar Refractivity: 85.8309 cm^3
• Polarizability: 33.553864 Å^3
• Polar Surface Area: 41.74 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.69
• LOG S: -0.98
• Polar Surface Area: 41.74 Å^2
• Rotatable Bonds: 6