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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

ethyl 5-(trifluoromethyl)-1,2,4-oxadiazole-3-carboxylate

CCOC(=O)c1noc(n1)C(F)(F)F Request for Quotation
Chemical Name: ethyl 5-(trifluoromethyl)-1,2,4-oxadiazole-3-carboxylate
CAS Number: 914773-13-0
Product Number: AG00IGQ3(AGN-PC-07YK5O)
Synonyms:
MDL No:
Molecular Formula: C6H5F3N2O3
Molecular Weight: 210.1107

Identification/Properties

Properties
Storage:
2-8℃;Keep in dry area;
Computed Properties
Molecular Weight:
210.112g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
3
Exact Mass:
210.025g/mol
Monoisotopic Mass:
210.025g/mol
Topological Polar Surface Area:
65.2A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
221
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


Ethyl 5-(trifluoromethyl)-1,2,4-oxadiazole-3-carboxylate serves as a versatile building block in chemical synthesis due to its unique structural properties. When employed in organic reactions, this compound functions as a crucial intermediate, offering a valuable platform for the creation of diverse chemical entities. Through strategic manipulation of its functional groups, researchers are able to access a wide array of derivatives with tailored properties and functionalities. The trifluoromethyl group confers enhanced stability and lipophilicity, making it a desirable feature in the design of bioactive compounds. Furthermore, the oxadiazole ring imparts structural rigidity and electron-deficient character, facilitating interactions in various molecular environments. Overall, the application of Ethyl 5-(trifluoromethyl)-1,2,4-oxadiazole-3-carboxylate in chemical synthesis enables the efficient construction of complex molecular architectures with potential utility in pharmaceuticals, agrochemicals, materials science, and beyond.