≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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=C1C#N)C2=CN=CO2 |
|---|---|
| IUPAC Name | 4-(1,3-oxazol-5-yl)benzonitrile |
| InChIKey | LZMCNLOQTURTHS-UHFFFAOYSA-N |
| INCHI | 1S/C10H6N2O/c11-5-8-1-3-9(4-2-8)10-6-12-7-13-10/h1-4,6-7H |
| Isomeric SMILES | C1=CC(=CC=C1C#N)C2=CN=CO2 |
| PubChem CID | 2777271 |
| Molecular Weight | 170.17 |
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 | Benzonitriles Heteroaromatic compounds Oxacyclic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenyl-1,3-oxazole - Benzonitrile - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carbonitrile - Nitrile - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2517205 | Certificate of Analysis | Feb 06, 2025 | B700948 |
| G2517211 | Certificate of Analysis | Feb 06, 2025 | B700948 |
| G2517212 | Certificate of Analysis | Feb 06, 2025 | B700948 |
| G2517213 | Certificate of Analysis | Feb 06, 2025 | B700948 |
| G2517214 | Certificate of Analysis | Feb 06, 2025 | B700948 |
| G2517215 | Certificate of Analysis | Feb 06, 2025 | B700948 |
| G2517216 | Certificate of Analysis | Feb 06, 2025 | B700948 |
| G2517220 | Certificate of Analysis | Feb 06, 2025 | B700948 |
| Molecular Weight | 170.170 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 170.048 Da |
| Monoisotopic Mass | 170.048 Da |
| Topological Polar Surface Area | 49.800 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 212.000 |
| 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 |
