for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| Sonrisas canónicas | C1=CC=C(C=C1)CN2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 5-benzyl-3-(4-nitrophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione |
| InChIKey | ILTXKNHWZXTCFB-UHFFFAOYSA-N |
| INCHI | 1S/C24H19N3O5/c28-23-20-21(17-11-13-19(14-12-17)27(30)31)26(18-9-5-2-6-10-18)32-22(20)24(29)25(23)15-16-7-3-1-4-8-16/h1-14,20-22H,15H2 |
| Peso molecular | 429.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azolidines |
| Subclass | Isoxazolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylisoxazolidines |
| Alternative Parents | Nitrobenzenes 1-hydroxylamino, 2-unsubstituted benzenoids 1-hydroxylamino, 4-unsubstituted benzenoids Nitroaromatic compounds N-phenylhydroxylamines Pyrrolidine-2-ones N-substituted carboxylic acid imides N-alkylpyrrolidines Dicarboximides Lactams Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds N-organohydroxylamines Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic zwitterions Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylisoxazolidine - Nitrobenzene - N-phenylhydroxylamine - 1-hydroxylamino, 4-unsubstituted benzenoid - 1-hydroxylamino, 2-unsubstituted benzenoid - Nitroaromatic compound - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Pyrrolidine - Dicarboximide - Organic nitro compound - Lactam - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - N-organohydroxylamine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylisoxazolidines. These are heterocyclic compounds containing an isoxazolidine conjugated by a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 429.400 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 429.132 Da |
| Monoisotopic Mass | 429.132 Da |
| Topological Polar Surface Area | 95.700 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 720.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![5-benzyl-3-(4-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione , CAS No.471262-43-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)