ethyl 4-{[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazine-1-carboxylate

• ChemBase ID: 666609
• Molecular Formular: C20H27N3O5
• Molecular Mass: 389.44548
• Monoisotopic Mass: 389.19507098
• SMILES: c1(nc(c(o1)C)CN1CCN(C(=O)OCC)CC1)c1c(cc(cc1)OC)OC
• Canonical SMILES: CCOC(=O)N1CCN(CC1)Cc1nc(oc1C)c1ccc(cc1OC)OC
• InChI: InChI=1S/C20H27N3O5/c1-5-27-20(24)23-10-8-22(9-11-23)13-17-14(2)28-19(21-17)16-7-6-15(25-3)12-18(16)26-4/h6-7,12H,5,8-11,13H2,1-4H3
• InChIKey: FEDBODPBPDCFBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-{[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazine-1-carboxylate
• IUPAC Traditional name: ethyl 4-{[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazine-1-carboxylate
• Synonyms: ethyl 4-{[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1-piperazinecarboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.4868819
• LogD (pH = 7.4): 1.8885943
• Log P: 1.897108
• Molar Refractivity: 114.6591 cm^3
• Polarizability: 40.84031 Å^3
• Polar Surface Area: 77.27 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.67
• LOG S: -3.21
• Polar Surface Area: 77.27 Å^2
• Rotatable Bonds: 3