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

• ChemBase ID: 496111
• Molecular Formular: C17H18FN3O2
• Molecular Mass: 315.3421232
• Monoisotopic Mass: 315.13830505
• SMILES: c1(nc(c(o1)C)Cn1c(ncc1)CC)c1c(cc(cc1)OC)F
• Canonical SMILES: CCc1nccn1Cc1nc(oc1C)c1ccc(cc1F)OC
• InChI: InChI=1S/C17H18FN3O2/c1-4-16-19-7-8-21(16)10-15-11(2)23-17(20-15)13-6-5-12(22-3)9-14(13)18/h5-9H,4,10H2,1-3H3
• InChIKey: QDAKCVKTUMAJJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2-ethyl-1H-imidazol-1-yl)methyl]-2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazole
• IUPAC Traditional name: 4-[(2-ethylimidazol-1-yl)methyl]-2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazole
• Synonyms: 4-[(2-ethyl-1H-imidazol-1-yl)methyl]-2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8731104
• LogD (pH = 7.4): 2.6775098
• Log P: 2.859251
• Molar Refractivity: 94.7078 cm^3
• Polarizability: 32.321404 Å^3
• Polar Surface Area: 53.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.63
• LOG S: -3.75
• Polar Surface Area: 53.08 Å^2
• Rotatable Bonds: 5