2-(2,5-dimethoxyphenyl)-5-methyl-4-[(4-methyl-1H-imidazol-1-yl)methyl]-1,3-oxazole

• ChemBase ID: 626879
• Molecular Formular: C17H19N3O3
• Molecular Mass: 313.35106
• Monoisotopic Mass: 313.14264148
• SMILES: c1(nc(c(o1)C)Cn1cnc(c1)C)c1c(ccc(c1)OC)OC
• Canonical SMILES: COc1ccc(cc1c1nc(c(o1)C)Cn1cnc(c1)C)OC
• InChI: InChI=1S/C17H19N3O3/c1-11-8-20(10-18-11)9-15-12(2)23-17(19-15)14-7-13(21-3)5-6-16(14)22-4/h5-8,10H,9H2,1-4H3
• InChIKey: HVYCYSQNAORCCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dimethoxyphenyl)-5-methyl-4-[(4-methyl-1H-imidazol-1-yl)methyl]-1,3-oxazole
• IUPAC Traditional name: 2-(2,5-dimethoxyphenyl)-5-methyl-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole
• Synonyms: 2-(2,5-dimethoxyphenyl)-5-methyl-4-[(4-methyl-1H-imidazol-1-yl)methyl]-1,3-oxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0574411
• LogD (pH = 7.4): 1.8089046
• Log P: 1.8666475
• Molar Refractivity: 96.4785 cm^3
• Polarizability: 33.327827 Å^3
• Polar Surface Area: 62.31 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: 2.47
• LOG S: -3.6
• Polar Surface Area: 62.31 Å^2
• Rotatable Bonds: 5