5-Amino-2-methyloxazole-4-carbonitrile

Name: 5-Amino-2-methyloxazole-4-carbonitrile
Brand: ChemScene
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CAS No. 5098-16-8
Cat. No. CS-W018822
Purity≥98%
MDL No.MFCD02685652

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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-Amino-2-methyloxazole-4-carbonitrile|CS-W018822

Structure of 5098-16-8

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General Information

CAS No. 5098-16-8
Cat. No. CS-W018822
Purity ≥98%
MDL No. MFCD02685652
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₅N₃O
Molecular Weight 123.11
Synonym(s) None
SMILES N#CC1=C(N)OC(C)=N1

Description

5-Amino-2-methyloxazole-4-carbonitrile is a heterocyclic building block featuring an electron-rich oxazole core with complementary amino and nitrile functionalities. This scaffold integrates readily into bioactive molecule design, offering high reactivity in coupling reactions and enhanced solubility under standard conditions.

Application

5-Amino-2-methyloxazole-4-carbonitrile serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to oxazole-based scaffolds. Its amino and nitrile groups offer orthogonal reactivity for derivatization via amidation, alkylation, or cyclization reactions. The molecule exhibits good bench stability and facilitates straightforward purification, making it well-suited for use in multi-step synthesis and API intermediate development.

Synthesis

Route1
- In-stock
  
  5098-14-6
- 75-36-5
- ~61%
- In-stock
  
  5098-16-8
References
- Freeman, Fillmore; Kim, Darrick S. H. L. Tetrahedron Letters, 1989 , vol. 30, # 20 p. 2631 - 2632
Route2
- 5181-05-5
- 108-24-7
- ~%
- In-stock
  
  5098-16-8
References
- Ferris,J.P.; Orgel,L.E. Journal of the American Chemical Society, 1966 , vol. 88, p. 3829 - 3831

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅱ
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 75.84
LogP 0.4369
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic heterocycle compounds Oxazole compounds

Key Words

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5-Amino-2-methyloxazole-4-carbonitrile

CAS No. 5098-16-8

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