≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC(=CC=C1C2=NC(=C(O2)N)C#N)C(F)(F)F |
|---|---|
| IUPAC Name | 5-amino-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonitrile |
| InChIKey | XGXZWSGHZDGLLS-UHFFFAOYSA-N |
| INCHI | 1S/C11H6F3N3O/c12-11(13,14)7-3-1-6(2-4-7)10-17-8(5-15)9(16)18-10/h1-4H,16H2 |
| Isomeric SMILES | C1=CC(=CC=C1C2=NC(=C(O2)N)C#N)C(F)(F)F |
| PubChem CID | 2741462 |
| Molecular Weight | 253.184 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Oxazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenyl-1,3-oxazoles |
| Alternative Parents | Trifluoromethylbenzenes 2,4,5-trisubstituted oxazoles Heteroaromatic compounds Oxacyclic compounds Nitriles Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenyl-1,3-oxazole - Trifluoromethylbenzene - 2,4,5-trisubstituted 1,3-oxazole - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carbonitrile - Oxacycle - Azacycle - Nitrile - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 253.180 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 253.046 Da |
| Monoisotopic Mass | 253.046 Da |
| Topological Polar Surface Area | 75.800 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 343.000 |
| 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 |
