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CS-W001157 4
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5-Methyl-1,3,4-oxadiazol-2(3H)-one

  • CAS No. 3069-67-8

  • Cat. No. CS-W019158
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

5-Methyl-1,3,4-oxadiazol-2(3H)-one|CS-W019158

Structure of 3069-67-8

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General Information

  • CAS No. 3069-67-8
  • Cat. No. CS-W019158
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃H₄N₂O₂
  • Molecular Weight 100.08
  • Synonym(s) 5-Methyl-1,3,4-oxadiazole-2-(3H)-one
  • SMILES CC1=NNC(O1)=O

Description

5-Methyl-1,3,4-oxadiazol-2(3H)-one is a bench-stable heterocyclic scaffold featuring a polar, electron-deficient oxadiazolone core. This motif integrates readily into bioactive molecules, offering enhanced solubility and metabolic stability in medicinal chemistry applications.

Application

5-Methyl-1,3,4-oxadiazol-2(3H)-one serves as a stable, bench-accessible building block for the synthesis of heterocyclic scaffolds and bioactive molecules. Its functional group tolerance enables diverse transformations, including nucleophilic substitution and coupling reactions. The compound functions effectively in medicinal chemistry workflows, facilitating rapid access to oxadiazole-containing APIs through reliable, scalable protocols.

Synthesis

  • Route1

    References

    • Tetrahedron, , vol. 68, # 38 p. 7978 - 7983
  • Route2

    References

    • US4952701 A1, ;
  • Route3
    • null|null
      75-44-5
    • In-stock
      Acethydrazide|CS-D1403
      1068-57-1
    • ~%
    • In-stock
      5-Methyl-1,3,4-oxadiazol-2(3H)-one|CS-W019158
      3069-67-8

    References

    • Chemische Berichte, , vol. 82, p. 121 Yakugaku Zasshi, , vol. 76, p. 1304,1306, 1307 Chem.Abstr., , p. 4275

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   58.89
  • LogP   -0.32868
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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