3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid

Name: 3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 1092400-82-2
Cat. No. CS-0060396
Purity≥97%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid|CS-0060396

Structure of 1092400-82-2

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General Information

CAS No. 1092400-82-2
Cat. No. CS-0060396
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₅F₃N₂O₃
Molecular Weight 258.15
Synonym(s) 3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid
SMILES C1=CC(=CC(=C1)C(=O)O)C2=NOC(=N2)C(F)(F)F

Description

This trifluoromethyl-substituted oxadiazole-linked benzoic acid integrates a polar, electron-deficient heterocycle with a carboxylic acid handle. The 1,2,4-oxadiazole ring enhances metabolic stability and modulates electronic properties, while the para-carboxyl group enables direct conjugation or derivatization in medicinal chemistry campaigns.

Application

3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid serves as a versatile building block for bioactive heterocycles, enabling efficient access to pharmacologically relevant scaffolds. The trifluoromethyl group enhances metabolic stability and lipophilicity, while the oxadiazole core provides a rigid, polarized linkage ideal for hydrogen bonding and target engagement. This compound facilitates direct coupling reactions with amines or alcohols under standard conditions, offering high functional group tolerance and excellent bench stability—ideal for parallel synthesis and medicinal chemistry campaigns.

Synthesis

Route1
- In-stock
  
  199447-10-4
- 407-25-0
- ~27%
- In-stock
  
  1092400-82-2
References
- TEMPERO PHARMACEUTICALS, INC.; GHOSH, Shomir; LOBERA, Mercedes; SCHMIDT, Darby, R.; BALOGLU, Erkan Patent: WO2013/6408 A1, 2013 ; Location in patent: Page/Page column 39; 40 ;
Route2
- In-stock
  
  1877-72-1
- ~%
- In-stock
  
  1092400-82-2
References
- WO2013/6408 A1, ;

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 76.22
LogP 2.4536
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Oxadiazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid

CAS No. 1092400-82-2

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