≥98% 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 | CC1=C(C=C(C=C1)C2=NC3=C(O2)C=C(C(=C3)C)C)N |
|---|---|
| IUPAC Name | 5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylaniline |
| InChIKey | YNGNUHTTXYBQEY-UHFFFAOYSA-N |
| INCHI | 1S/C16H16N2O/c1-9-4-5-12(8-13(9)17)16-18-14-6-10(2)11(3)7-15(14)19-16/h4-8H,17H2,1-3H3 |
| Isomeric SMILES | CC1=C(C=C(C=C1)C2=NC3=C(O2)C=C(C(=C3)C)C)N |
| PubChem CID | 4525948 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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 | Benzoxazoles Aniline and substituted anilines Aminotoluenes Primary aromatic amines Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenyl-1,3-oxazole - Benzoxazole - Aminotoluene - Aniline or substituted anilines - Toluene - Monocyclic benzene moiety - Primary aromatic amine - Benzenoid - Heteroaromatic compound - Oxacycle - Azacycle - Amine - Hydrocarbon derivative - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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 | 252.310 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 252.126 Da |
| Monoisotopic Mass | 252.126 Da |
| Topological Polar Surface Area | 52.100 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 322.000 |
| 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 |
