≥90% 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=CC=C(C=C1)CNC(=O)CC2N(C(=O)N(O2)C)C3=CC=C(C=C3)Cl |
|---|---|
| IUPAC Name | 2-[4-(4-chlorophenyl)-2-methyl-3-oxo-1,2,4-oxadiazolidin-5-yl]-N-[(4-methylphenyl)methyl]acetamide |
| InChIKey | FIRNOTDLUJVMGH-UHFFFAOYSA-N |
| INCHI | 1S/C19H20ClN3O3/c1-13-3-5-14(6-4-13)12-21-17(24)11-18-23(19(25)22(2)26-18)16-9-7-15(20)8-10-16/h3-10,18H,11-12H2,1-2H3,(H,21,24) |
| Isomeric SMILES | CC1=CC=C(C=C1)CNC(=O)CC2N(C(=O)N(O2)C)C3=CC=C(C=C3)Cl |
| PubChem CID | 3736391 |
| Molecular Weight | 373.84 |
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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives |
| Direct Parent | Beta amino acids and derivatives |
| Alternative Parents | Toluenes Chlorobenzenes Aryl chlorides Oxadiazolidines Secondary carboxylic acid amides Organic carbonic acids and derivatives Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Beta amino acid or derivatives - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,2,4-oxadiazolidine - Carboxamide group - Carbonic acid derivative - Secondary carboxylic acid amide - Oxacycle - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. |
| External Descriptors | Not available |
| Molecular Weight | 373.800 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 373.119 Da |
| Monoisotopic Mass | 373.119 Da |
| Topological Polar Surface Area | 61.900 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 502.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2-[4-(4-chlorophenyl)-2-methyl-3-oxo-1,2,4-oxadiazolan-5-yl]-N-(4-methylbenzyl)acetamide - ≥90% , CAS No.478033-73-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)