1,3,4-Oxadiazole-2-propanoic acid, 5-phenyl-


Chemical Name: 1,3,4-Oxadiazole-2-propanoic acid, 5-phenyl-
CAS Number: 23464-98-4
Product Number: AG002NBP(AGN-PC-0LWT7Z)
Synonyms:
MDL No:
Molecular Formula: C11H10N2O3
Molecular Weight: 218.2087

Identification/Properties


Computed Properties
Molecular Weight:
218.212g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
218.069g/mol
Monoisotopic Mass:
218.069g/mol
Topological Polar Surface Area:
76.2A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
241
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



3-(5-Phenyl-1,3,4-oxadiazol-2-yl)propanoic acid, a versatile compound with significant utility in chemical synthesis, functions as a key intermediate in the preparation of a variety of organic molecules. Its distinct structure imparts unique reactivity and functionality, allowing it to be employed in the synthesis of various pharmaceuticals, agrochemicals, and advanced materials. In particular, this compound serves as a valuable building block in the development of novel drug candidates, offering researchers the ability to introduce diverse structural motifs and enhance biological activity. Furthermore, its incorporation in chemical synthesis processes facilitates the construction of complex molecular architectures with tailored properties and functionalities, making it a valuable tool for medicinal and materials chemistry research.