5-Methyl-1,3,4-oxadiazol-2-amine

Name: 5-Methyl-1,3,4-oxadiazol-2-amine
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 52838-39-8
Cat. No. CS-W005125
Purity≥97%
MDL No.MFCD03703470

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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5-Methyl-1,3,4-oxadiazol-2-amine|CS-W005125

Structure of 52838-39-8

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General Information

CAS No. 52838-39-8
Cat. No. CS-W005125
Purity ≥97%
MDL No. MFCD03703470
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₃H₅N₃O
Molecular Weight 99.09
Synonym(s) 5-METHYL-1,3,4-OXADIAZOL-2-YLAMINE
SMILES NC1=NN=C(C)O1

Description

5-Methyl-1,3,4-oxadiazol-2-amine features a polar oxadiazole core with a methyl group at the 5-position and a primary amine at the 2-position. This configuration imparts enhanced solubility and hydrogen-bonding capacity, enabling efficient incorporation into bioactive scaffolds. The compound serves as a robust heterocyclic building block for medicinal chemistry campaigns targeting kinase inhibitors and antimicrobial agents.

Application

5-Methyl-1,3,4-oxadiazol-2-amine serves as a versatile heterocyclic building block in medicinal chemistry, enabling the construction of bioactive scaffolds through well-established functional group transformations. Its amine functionality facilitates derivatization via acylation, alkylation, and coupling reactions, while the oxadiazole ring imparts metabolic stability and favorable physicochemical properties. The methyl substituent enhances lipophilicity and can influence binding interactions. This compound exhibits good bench stability and is compatible with standard purification methods, making it suitable for high-throughput synthesis and process development workflows.

Synthesis

Route1
- In-stock
  
  2302-88-7
- ~%
- In-stock
  
  52838-39-8
References
- Guda, Dinneswara Reddy; Cho, Hyeon Mo; Lee, Myong Euy RSC Advances, 2013 , vol. 3, # 21 p. 7684 - 7687
Route2
- 506-68-3
- In-stock
  
  1068-57-1
- ~%
- In-stock
  
  52838-39-8
References
- Bachkovskii,I.P.; Chuiguk,V.A. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1975 , vol. 11, p. 1272 - 1277 Khimiya Geterotsiklicheskikh Soedinenii, 1975 , vol. 11, # 11 p. 1493 - 1498

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

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Computational Chemistry Data

TPSA 64.94
LogP -0.03978
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Oxadiazole compounds

Key Words

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5-Methyl-1,3,4-oxadiazol-2-amine

CAS No. 52838-39-8

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