1,3,4-Oxadiazol-2-amine, 5-(4-methylphenyl)-


Chemical Name: 1,3,4-Oxadiazol-2-amine, 5-(4-methylphenyl)-
CAS Number: 33621-60-2
Product Number: AG007DIK(AGN-PC-0JQCWY)
Synonyms:
MDL No:
Molecular Formula: C9H9N3O
Molecular Weight: 175.1873

Identification/Properties


Computed Properties
Molecular Weight:
175.191g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
175.075g/mol
Monoisotopic Mass:
175.075g/mol
Topological Polar Surface Area:
64.9A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
168
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



5-(p-Tolyl)-1,3,4-oxadiazol-2-amine is a versatile compound commonly used in chemical synthesis as a building block for the construction of various functional materials and pharmaceutical intermediates. In organic synthesis, this compound serves as a key component in the preparation of diverse heterocyclic compounds through cyclization reactions. Its unique structure and reactivity make it an essential reagent for the development of novel molecules with potentially useful properties.Additionally, 5-(p-Tolyl)-1,3,4-oxadiazol-2-amine plays a crucial role in the design and synthesis of potential drug candidates, particularly in the development of new pharmaceuticals targeting various diseases. Its presence in the molecular structure of bioactive compounds can significantly impact their pharmacological properties, making it a valuable tool in medicinal chemistry research.Overall, the application of 5-(p-Tolyl)-1,3,4-oxadiazol-2-amine in chemical synthesis extends across diverse fields, including materials science and drug discovery, where its unique characteristics contribute to the creation of innovative molecules with promising applications.