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.
| Canonical Smiles | C1COCCN1C2=CC=C(C=C2)N3C(=O)C4C(N(OC4C3=O)C5=CC=CC=C5)C6=CC=NC=C6 |
|---|---|
| IUPAC Name | 5-(4-morpholin-4-ylphenyl)-2-phenyl-3-pyridin-4-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione |
| InChIKey | HDZBPQNOWHTHBV-UHFFFAOYSA-N |
| INCHI | 1S/C26H24N4O4/c31-25-22-23(18-10-12-27-13-11-18)30(21-4-2-1-3-5-21)34-24(22)26(32)29(25)20-8-6-19(7-9-20)28-14-16-33-17-15-28/h1-13,22-24H,14-17H2 |
| Molecular Weight | 456.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Oxazinanes |
| Subclass | Morpholines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylmorpholines |
| Alternative Parents | Phenylpyrrolidines Phenylisoxazolidines 1-hydroxylamino, 2-unsubstituted benzenoids 1-hydroxylamino, 4-unsubstituted benzenoids N-phenylhydroxylamines Aniline and substituted anilines Dialkylarylamines Pyrrolidine-2-ones Pyridines and derivatives N-substituted carboxylic acid imides Pyrroles Heteroaromatic compounds Dicarboximides Amino acids and derivatives Lactams Oxacyclic compounds N-organohydroxylamines Azacyclic compounds Dialkyl ethers Organic oxides Carbonyl compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylmorpholine - Phenylisoxazolidine - 1-phenylpyrrolidine - N-phenylhydroxylamine - 1-hydroxylamino, 4-unsubstituted benzenoid - 1-hydroxylamino, 2-unsubstituted benzenoid - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Pyridine - Pyrrolidone - 2-pyrrolidone - Benzenoid - Carboxylic acid imide, n-substituted - Dicarboximide - Carboxylic acid imide - Pyrrole - Heteroaromatic compound - Isoxazolidine - Pyrrolidine - Amino acid or derivatives - Tertiary amine - Lactam - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - N-organohydroxylamine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 456.500 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 456.18 Da |
| Monoisotopic Mass | 456.18 Da |
| Topological Polar Surface Area | 75.200 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 739.000 |
| 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-(4-morpholinophenyl)-2-phenyl-3-(pyridin-4-yl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione , CAS No.1005261-02-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)