1-(2-ethoxyphenyl)-4-{[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazine

• ChemBase ID: 691286
• Molecular Formular: C26H33N3O3
• Molecular Mass: 435.55852
• Monoisotopic Mass: 435.25219193
• SMILES: c1(nc(c(o1)C)CN1CCN(c2c(OCC)cccc2)CC1)c1cc(c(cc1C)OC)C
• Canonical SMILES: CCOc1ccccc1N1CCN(CC1)Cc1nc(oc1C)c1cc(C)c(cc1C)OC
• InChI: InChI=1S/C26H33N3O3/c1-6-31-24-10-8-7-9-23(24)29-13-11-28(12-14-29)17-22-20(4)32-26(27-22)21-15-19(3)25(30-5)16-18(21)2/h7-10,15-16H,6,11-14,17H2,1-5H3
• InChIKey: UVIQFNPIGBITGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-ethoxyphenyl)-4-{[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazine
• IUPAC Traditional name: 1-(2-ethoxyphenyl)-4-{[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazine
• Synonyms: 1-(2-ethoxyphenyl)-4-{[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.7066433
• LogD (pH = 7.4): 4.882931
• Log P: 4.9688854
• Molar Refractivity: 139.3452 cm^3
• Polarizability: 49.495472 Å^3
• Polar Surface Area: 50.97 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.58
• LOG S: -5.64
• Polar Surface Area: 50.97 Å^2
• Rotatable Bonds: 4