3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole


Chemical Name: 3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
CAS Number: 1146699-63-9
Product Number: AG000EZZ(AGN-PC-0ACAIE)
Synonyms:
MDL No:
Molecular Formula: C9H7FN2O
Molecular Weight: 178.1631

Identification/Properties


Computed Properties
Molecular Weight:
178.166g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
178.054g/mol
Monoisotopic Mass:
178.054g/mol
Topological Polar Surface Area:
38.9A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
179
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



3-(3-Fluoro-4-methylphenyl)-1,2,4-oxadiazole, often referred to as $name$, is a versatile compound widely used in chemical synthesis. In organic chemistry, this molecule serves as a valuable building block for the construction of various heterocyclic frameworks. Its unique structure and reactivity make it particularly useful in the development of novel pharmaceuticals, agrochemicals, and materials.One key application of 3-(3-Fluoro-4-methylphenyl)-1,2,4-oxadiazole is in the synthesis of biologically active compounds. By incorporating this molecule into the molecular structure of target compounds, chemists can modulate their properties and enhance their efficacy. This approach has been successfully employed in the design and synthesis of potential drug candidates, where the oxadiazole moiety imparts desirable characteristics such as improved bioavailability and target specificity.Another important role of 3-(3-Fluoro-4-methylphenyl)-1,2,4-oxadiazole in chemical synthesis is in the fabrication of advanced materials. The unique structural features of this compound enable its integration into polymeric systems, supramolecular assemblies, and functionalized surfaces. By leveraging the reactivity of the oxadiazole ring, researchers can tailor the properties of materials for specific applications, such as in optoelectronics, sensors, and catalysis.Overall, the versatility and utility of 3-(3-Fluoro-4-methylphenyl)-1,2,4-oxadiazole make it a valuable tool in the hands of synthetic chemists, offering endless possibilities for the creation of innovative molecules and materials.