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CS-W001157 4
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5-Methylisoxazole

  • CAS No. 5765-44-6

  • Cat. No. CS-0085310
  • Purity≥98%
  • MDL No.MFCD00003152

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

5-Methylisoxazole|CS-0085310

Structure of 5765-44-6

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General Information

  • CAS No. 5765-44-6
  • Cat. No. CS-0085310
  • Purity ≥98%
  • MDL No. MFCD00003152
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₅NO
  • Molecular Weight 83.09
  • Synonym(s) isoxazole, 5-methyl-
  • SMILES CC1=CC=NO1

Description

5-Methylisoxazole is a bench-stable heterocycle featuring a methyl-substituted isoxazole core, offering enhanced lipophilicity and metabolic stability. This electron-rich scaffold integrates readily into medicinal chemistry libraries, serving as a robust bioisostere for phenyl and pyridine rings in target-focused lead optimization.

Application

5-Methylisoxazole serves as a versatile heterocyclic building block in medicinal chemistry and synthetic organic research. Its electron-rich ring system enables reliable functionalization at the 3- and 4-positions via electrophilic substitution or transition-metal-catalyzed coupling. The methyl group enhances solubility and metabolic stability, while the isoxazole core provides robustness under standard reaction conditions. This compound functions effectively as a scaffold for API development and exhibits favorable bench stability, ease of purification, and compatibility with diverse functional groups.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H225
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501

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Computational Chemistry Data

  • TPSA   26.03
  • LogP   0.98302
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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