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

• ChemBase ID: 409279
• Molecular Formular: C17H16F3N3O
• Molecular Mass: 335.3236496
• Monoisotopic Mass: 335.12454681
• SMILES: n1c(c(oc1c1cc(C(F)(F)F)ccc1)C)Cn1c(ncc1)CC
• Canonical SMILES: CCc1nccn1Cc1nc(oc1C)c1cccc(c1)C(F)(F)F
• InChI: InChI=1S/C17H16F3N3O/c1-3-15-21-7-8-23(15)10-14-11(2)24-16(22-14)12-5-4-6-13(9-12)17(18,19)20/h4-9H,3,10H2,1-2H3
• InChIKey: GVLGXDOZPQXUKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.765926
• LogD (pH = 7.4): 3.5703275
• Log P: 3.752069
• Molar Refractivity: 94.0019 cm^3
• Polarizability: 31.173626 Å^3
• Polar Surface Area: 43.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.84
• LOG S: -4.92
• Polar Surface Area: 43.85 Å^2
• Rotatable Bonds: 4