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5-Methylbenzoxazole

  • CAS No. 10531-78-9

  • Cat. No. CS-0130444
  • Purity≥98%
  • MDL No.None

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

5-Methylbenzoxazole|CS-0130444

Structure of 10531-78-9

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General Information

  • CAS No. 10531-78-9
  • Cat. No. CS-0130444
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO
  • Molecular Weight 133.15
  • Synonym(s) None
  • SMILES CC1=CC=C2OC=NC2=C1

Description

5-Methylbenzoxazole is a heterocyclic compound featuring a benzene ring fused to an oxazole ring with a methyl substituent at the 5-position. This configuration imparts enhanced stability and electron-rich character, enabling efficient integration into pharmaceutical scaffolds and fluorescent probes. The methyl group improves lipophilicity and metabolic resistance, making it valuable in drug discovery and materials science applications.

Application

5-Methylbenzoxazole serves as a versatile heterocyclic building block in medicinal chemistry and materials science, enabling efficient access to bioactive scaffolds. Its electron-rich aromatic system facilitates electrophilic substitution and transition-metal-catalyzed coupling reactions. The methyl substituent enhances metabolic stability and modulates lipophilicity, offering favorable properties for drug discovery applications. Bench-stable and readily purified by column chromatography, it functions effectively in standard synthetic workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H318
Precautionary Statements : P264-P270-P280-P330-P501

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Computational Chemistry Data

  • TPSA   26.03
  • LogP   2.13622
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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