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CS-W001157 4
Total: USD 88.00

5-Isopropyl-1,3,4-oxadiazole-2-carboxylic acid

  • CAS No. 944907-13-5

  • Cat. No. CS-0290855
  • Purity≥95%
  • MDL No.None

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

5-Isopropyl-1,3,4-oxadiazole-2-carboxylic acid|CS-0290855

Structure of 944907-13-5

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General Information

  • CAS No. 944907-13-5
  • Cat. No. CS-0290855
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₈N₂O₃
  • Molecular Weight 156.14
  • Synonym(s) None
  • SMILES O=C(C1=NN=C(C(C)C)O1)O

Description

5-Isopropyl-1,3,4-oxadiazole-2-carboxylic acid features a stable oxadiazole core with a carboxylic acid group and a sterically hindered isopropyl substituent. This combination imparts enhanced solubility and metabolic stability, enabling efficient incorporation into bioactive scaffolds for medicinal chemistry applications.

Application

5-Isopropyl-1,3,4-oxadiazole-2-carboxylic acid serves as a stable, bench-ready building block for bioactive heterocycles, enabling efficient access to diverse pharmaceutical scaffolds. Its carboxylic acid functionality facilitates direct amidation or esterification, while the oxadiazole core provides metabolic stability and enhanced solubility. The isopropyl group enhances lipophilicity and steric profile, supporting orthogonal functionalization in complex molecule synthesis.

Safety Information

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Computational Chemistry Data

  • TPSA   76.22
  • LogP   0.8912
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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