116248-10-3

Basic information

• Product Name: 5-Benzoxazolamine, 2-(4-fluorophenyl)-
• CAS NO: 116248-10-3
• Molecular Formula: C13H9FN2O
• Molecular Weight: 228.226
• Mol File: 116248-10-3.mol
• Article Data: 11

Chemical Properties

• CAS DataBase Reference: 5-Benzoxazolamine, 2-(4-fluorophenyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Benzoxazolamine, 2-(4-fluorophenyl)-(116248-10-3)
• EPA Substance Registry System: 5-Benzoxazolamine, 2-(4-fluorophenyl)-(116248-10-3)

Safety Data

• Hazardous Substances Data: 116248-10-3(Hazardous Substances Data)

Upstream product

• 456-22-4 4-Fluorobenzoic acid 
• 137-09-7 2,4-diaminophenol dihydrochloride 
• 99-57-0 2-hydroxy-5-nitroaniline 
• 459-57-4 4-fluorobenzaldehyde 
• 95-86-3 2,4-diaminophenol 
• 212758-55-9 2-(4-fluorophenyl)-5-nitrobenzo[d]oxazole 

Downstream Products

• 158920-54-8 4-fluoro-N-[2-(4-fluoro-phenyl)-benzooxazol-5-yl]-benzamide 
• 352666-75-2 C₂₂H₁₃FN₂O₃ 
• 352344-21-9 C₁₆H₁₂ClFN₂O₂ 
• 1610037-88-1 2-(4-fluorophenyl)-5-(4-nitrophenylsulfonamido)benzoxazole 
• 867347-91-9 2-chloro-N-[2-(4-fluoro-phenyl)-benzooxazol-5-yl]-acetamide 
• 312755-97-8 N-(2-(4-fluorophenyl)benzo[d]oxazol-5-yl)benzamide 

Relevant articles and documents

Synthesis, quantum mechanical calculations, antimicrobial activities and molecular docking studies of five novel 2,5-disubstituted benzoxazole derivatives

In this study, five new 2-(p-(Substituted)phenyl)-5-(3-(4-ethylpiperazine-1-yl) propionamido)benzoxazole derivatives (B7-B11) were designed, synthesized, and their antimicrobial activities were determined by the microdilution method. The novel benzoxazole compounds were characterized using FTIR, 1H NMR, and 13C NMR spectroscopy, mass spectroscopy, and elemental analysis. B7 and B11 showed promising activity against P. aeruginosa isolate at 16 μg/mL compared to the reference drugs. Quantum mechanical calculations were performed on five compounds in the ground state using density functional theory (DFT) with the B3LYP/6–311G(d,p) level. Molecular docking studies of the compounds were also performed a complex structure of the DNA gyrase enzyme with ciprofloxacin (PDB: 2XCT), and it was observed that the binding poses were similar to ciprofloxacin. Theoretical ADME profiles of the compounds conform to Lipinski and other limiting rules.

Synthesis, molecular docking and antimicrobial evaluation of novel benzoxazole derivatives

In this research, previously and newly synthesized 5-amino-2-(4-substitutedphenyl/benzyl)benzoxazoles (3a-3l) and 2-substituted-5-(4-nitro/aminophenylsulfonamido)benzoxazoles (5a-5l, 6a-6l) were evaluated for their antimicrobial activities against Pseudom

Synthesis and biological evaluation of 2-substituted-5-(4- nitrophenylsulfonamido)benzoxazoles as human GST P1-1 inhibitors, and description of the binding site features

Glutathione-S-transferases (GSTs) are enzymes involved in cellular detoxification by catalyzing the nucleophilic attack of glutathione (GSH) on the electrophilic center of numerous of toxic compounds and xenobiotics, including chemotherapeutic drugs. Huma