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Methyl 3-(5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl)benzoate

  • CAS No. 775304-60-4

  • Cat. No. CS-0059779
  • Molecule weight298.27
  • Purity≥97%
  • MDL No.None

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

Methyl 3-(5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl)benzoate|CS-0059779

Structure of 775304-60-4

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General Information

  • CAS No. 775304-60-4
  • Cat. No. CS-0059779
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₁FN₂O₃
  • Molecular Weight 298.27
  • Synonym(s) Benzoic acid, 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-, Methyl ester
  • SMILES C(C=1C=C(C=CC1)C2=NOC(=N2)C=3C(=CC=CC3)F)(=O)OC

Description

Methyl 3-(5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl)benzoate features a rigid, electron-deficient oxadiazole core linked to a fluorinated phenyl group and an ester-functionalized aromatic ring. This combination imparts enhanced metabolic stability and favorable binding interactions in medicinal chemistry applications. The molecule exhibits good solubility under standard conditions and is bench-stable for routine handling in synthesis workflows.

Application

Methyl 3-(5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl)benzoate serves as a versatile building block for heterocyclic synthesis, enabling efficient access to bioactive scaffolds through standard coupling and functional group interconversions. The 1,2,4-oxadiazole moiety provides enhanced metabolic stability and favorable polarity, while the ortho-fluorophenyl and ester functionalities offer predictable reactivity in cross-coupling and reduction processes. Bench-stable and readily purified by flash chromatography, it facilitates streamlined synthetic workflows in medicinal chemistry and process development.

Safety Information

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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

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Computational Chemistry Data

  • TPSA   65.22
  • LogP   3.3293
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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