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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)-

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

CC(c1onc(n1)c1ccc(cc1)C(=O)O)C Request for Quotation
Chemical Name: 4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid
CAS Number: 915920-28-4
Product Number: AG003K5D(AGN-PC-050H80)
Synonyms:
MDL No: MFCD08691677
Molecular Formula: C12H12N2O3
Molecular Weight: 232.2353

Identification/Properties

Computed Properties
Molecular Weight:
232.239g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
232.085g/mol
Monoisotopic Mass:
232.085g/mol
Topological Polar Surface Area:
76.2A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
275
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:
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


4-[5-(1-Methylethyl)-1,2,4-oxadiazol-3-yl]benzoic acid is a versatile compound that finds application in chemical synthesis as a key building block for the preparation of various pharmaceuticals, agrochemicals, and advanced materials. This compound serves as a valuable intermediate in the synthesis of novel heterocyclic compounds with potential biological activities. Its structural features allow for functionalization at multiple sites, enabling the incorporation of specific properties or functionalities into the final products. In organic synthesis, 4-[5-(1-Methylethyl)-1,2,4-oxadiazol-3-yl]benzoic acid acts as a crucial starting material for the construction of more complex structures through various chemical transformations such as esterification, amidation, or cyclization reactions. The unique structural motif of this compound makes it a valuable tool for the generation of diverse molecular scaffolds, contributing to the development of new chemical entities with enhanced properties and activities.