4-Oxazolecarboxylic acid, 5-(3-nitrophenyl)-, ethyl ester


Chemical Name: 4-Oxazolecarboxylic acid, 5-(3-nitrophenyl)-, ethyl ester
CAS Number: 916674-05-0
Product Number: AG003QBQ(AGN-PC-0570DQ)
Synonyms:
MDL No:
Molecular Formula: C12H10N2O5
Molecular Weight: 262.2182

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
262.221g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
262.059g/mol
Monoisotopic Mass:
262.059g/mol
Topological Polar Surface Area:
98.2A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
344
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



Ethyl 5-(3-nitrophenyl)oxazole-4-carboxylate is a versatile compound widely utilized in chemical synthesis due to its unique structural properties and reactivity profile. In organic synthesis, this compound serves as a valuable building block for the construction of complex molecules and pharmaceutical compounds. By incorporating Ethyl 5-(3-nitrophenyl)oxazole-4-carboxylate into a variety of reactions, chemists can access a diverse array of functionalized products with enhanced biological activities and pharmacological properties. Notably, this compound's incorporation in multi-step synthetic sequences can facilitate the rapid generation of structurally diverse compound libraries for drug discovery purposes. Its strategic placement within a chemical structure can also impart desirable properties, such as improved solubility, stability, or target specificity. Furthermore, Ethyl 5-(3-nitrophenyl)oxazole-4-carboxylate's compatibility with various chemical transformations, including cross-coupling reactions, cycloadditions, and functional group manipulations, further underscores its utility as a key intermediate in organic synthesis endeavors.