≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged Ships Wet ice 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(=C1)N)C2=COC=N2 |
|---|---|
| IUPAC Name | 3-(1,3-oxazol-4-yl)aniline |
| InChIKey | ZHOOTBMJVAOIIO-UHFFFAOYSA-N |
| INCHI | 1S/C9H8N2O/c10-8-3-1-2-7(4-8)9-5-12-6-11-9/h1-6H,10H2 |
| Isomeric SMILES | C1=CC(=CC(=C1)N)C2=COC=N2 |
| Alternate CAS | 521982-80-9 |
| Molecular Weight | 160.17 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Aniline and substituted anilines Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Primary amines Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenyl-1,3-oxazole - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - 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 |
| Sensitivity | light sensitive; air sensitive |
|---|---|
| Molecular Weight | 160.170 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 160.064 Da |
| Monoisotopic Mass | 160.064 Da |
| Topological Polar Surface Area | 52.100 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 151.000 |
| 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 |
