1,3,4-Oxadiazole-2-carboxylic acid, 5-(4-methoxyphenyl)-, ethyl ester


Chemical Name: 1,3,4-Oxadiazole-2-carboxylic acid, 5-(4-methoxyphenyl)-, ethyl ester
CAS Number: 99367-44-9
Product Number: AG00IK9V(AGN-PC-00MFY1)
Synonyms:
MDL No:
Molecular Formula: C12H12N2O4
Molecular Weight: 248.2347

Identification/Properties


Computed Properties
Molecular Weight:
248.238g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Exact Mass:
248.08g/mol
Monoisotopic Mass:
248.08g/mol
Topological Polar Surface Area:
74.4A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
279
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

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NMR Spectrum


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Chemical Structure



Ethyl 5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate, also known as $name$, serves as a versatile building block in chemical synthesis. This compound is frequently utilized in the development of new pharmaceuticals, agrochemicals, and materials due to its unique structural properties. In chemical synthesis, $name$ acts as a key intermediate, allowing for the construction of diverse molecular structures with specific functionalities and properties. Its inclusion in synthetic pathways enables chemists to access a wide range of derivatives and analogs that exhibit promising biological or material properties. By incorporating Ethyl 5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate into their reactions, researchers can tailor the molecular structure of their target compounds, leading to the discovery of novel entities with potential applications in various industries.