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

• ChemBase ID: 568004
• Molecular Formular: C18H21N3O2
• Molecular Mass: 311.37824
• Monoisotopic Mass: 311.16337693
• SMILES: c1(nc(c(o1)C)Cn1c(ncc1)C)c1cc(c(cc1C)OC)C
• Canonical SMILES: COc1cc(C)c(cc1C)c1oc(c(n1)Cn1ccnc1C)C
• InChI: InChI=1S/C18H21N3O2/c1-11-9-17(22-5)12(2)8-15(11)18-20-16(13(3)23-18)10-21-7-6-19-14(21)4/h6-9H,10H2,1-5H3
• InChIKey: PSUQNXUCAVJUSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0365796
• LogD (pH = 7.4): 2.816858
• Log P: 3.042856
• Molar Refractivity: 99.9469 cm^3
• Polarizability: 34.323463 Å^3
• Polar Surface Area: 53.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.34
• LOG S: -4.32
• Polar Surface Area: 53.08 Å^2
• Rotatable Bonds: 4