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

• ChemBase ID: 698544
• Molecular Formular: C17H19N3O3
• Molecular Mass: 313.35106
• Monoisotopic Mass: 313.14264148
• SMILES: c1(nc(c(o1)C)Cn1c(ncc1)C)c1c(ccc(c1)OC)OC
• Canonical SMILES: COc1ccc(cc1c1nc(c(o1)C)Cn1ccnc1C)OC
• InChI: InChI=1S/C17H19N3O3/c1-11-15(10-20-8-7-18-12(20)2)19-17(23-11)14-9-13(21-3)5-6-16(14)22-4/h5-9H,10H2,1-4H3
• InChIKey: LRFFUHVHELQTAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8520688
• LogD (pH = 7.4): 1.6323441
• Log P: 1.858342
• Molar Refractivity: 96.3277 cm^3
• Polarizability: 33.326523 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: 2.19
• LOG S: -3.36
• Polar Surface Area: 62.31 Å^2
• Rotatable Bonds: 5