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 | COC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)F |
|---|---|
| IUPAC Name | 3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione |
| InChIKey | AWYACEIVBOFBHB-UHFFFAOYSA-N |
| INCHI | 1S/C24H19FN2O4/c1-30-19-13-11-17(12-14-19)26-23(28)20-21(15-7-9-16(25)10-8-15)27(31-22(20)24(26)29)18-5-3-2-4-6-18/h2-14,20-22H,1H3 |
| Molecular Weight | 418.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolidines |
| Subclass | Phenylpyrrolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrrolidines |
| Alternative Parents | Phenylisoxazolidines Methoxyanilines Anisoles Methoxybenzenes N-phenylhydroxylamines 1-hydroxylamino, 4-unsubstituted benzenoids 1-hydroxylamino, 2-unsubstituted benzenoids Phenoxy compounds Alkyl aryl ethers Fluorobenzenes N-substituted carboxylic acid imides Aryl fluorides Pyrrolidine-2-ones Dicarboximides Pyrroles Lactams N-organohydroxylamines Azacyclic compounds Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylisoxazolidine - 1-phenylpyrrolidine - Methoxyaniline - Phenol ether - Phenoxy compound - N-phenylhydroxylamine - 1-hydroxylamino, 4-unsubstituted benzenoid - 1-hydroxylamino, 2-unsubstituted benzenoid - Anisole - Methoxybenzene - Halobenzene - Alkyl aryl ether - Fluorobenzene - Monocyclic benzene moiety - Benzenoid - 2-pyrrolidone - Pyrrolidone - Aryl halide - Aryl fluoride - Carboxylic acid imide, n-substituted - Pyrrole - Isoxazolidine - Carboxylic acid imide - Dicarboximide - Lactam - Carboxylic acid derivative - Oxacycle - Azacycle - Ether - N-organohydroxylamine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 418.400 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 418.133 Da |
| Monoisotopic Mass | 418.133 Da |
| Topological Polar Surface Area | 59.100 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 668.000 |
| 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 |
![3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione , CAS No.306969-39-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)