1-(4-{[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)ethan-1-one

• ChemBase ID: 572179
• Molecular Formular: C19H25N3O3
• Molecular Mass: 343.4201
• Monoisotopic Mass: 343.18959168
• SMILES: c1(nc(c(o1)C)CN1CCN(C(=O)C)CC1)c1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1c1oc(c(n1)CN1CCN(CC1)C(=O)C)C
• InChI: InChI=1S/C19H25N3O3/c1-4-24-18-8-6-5-7-16(18)19-20-17(14(2)25-19)13-21-9-11-22(12-10-21)15(3)23/h5-8H,4,9-13H2,1-3H3
• InChIKey: CNNRSWCGLSTVIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-{[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)ethan-1-one
• IUPAC Traditional name: 1-(4-{[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)ethanone
• Synonyms: 1-acetyl-4-{[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8850757
• LogD (pH = 7.4): 1.4217465
• Log P: 1.435488
• Molar Refractivity: 106.5723 cm^3
• Polarizability: 37.60555 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: 1.45
• LOG S: -1.44
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 3