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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC=C(C=C3)OC(F)(F)F |
|---|---|
| IUPAC Name | 3-(2-chlorophenyl)-5-methyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide |
| InChIKey | HKMWUEBTVWGJBW-UHFFFAOYSA-N |
| INCHI | 1S/C18H12ClF3N2O3/c1-10-15(16(24-27-10)13-4-2-3-5-14(13)19)17(25)23-11-6-8-12(9-7-11)26-18(20,21)22/h2-9H,1H3,(H,23,25) |
| Isómeros SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC=C(C=C3)OC(F)(F)F |
| PubChem CID | 1119202 |
| Peso molecular | 396.75 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aromatic anilides |
| Alternative Parents | Phenoxy compounds Phenol ethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Isoxazoles Trihalomethanes Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Alkyl fluorides Organochlorides Organofluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aromatic anilide - Phenoxy compound - Phenol ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Isoxazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Trihalomethane - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Alkyl fluoride - Organofluoride - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Halomethane - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group. |
| External Descriptors | Not available |
| Peso molecular | 396.700 g/mol |
|---|---|
| XLogP3 | 5.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 396.049 Da |
| Monoisotopic Mass | 396.049 Da |
| Topological Polar Surface Area | 64.400 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 515.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![3-(2-chlorophenyl)-5-methyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide , CAS No.309740-96-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)