≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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=C(C(=NO1)C2=CC=C(C=C2)N)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl |
|---|---|
| IUPAC Name | [3-(4-aminophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]methanone |
| InChIKey | IFORBGIGTQZJOA-UHFFFAOYSA-N |
| INCHI | 1S/C21H20ClN5O4/c1-13-19(20(24-31-13)14-2-4-15(23)5-3-14)21(28)26-10-8-25(9-11-26)18-7-6-16(27(29)30)12-17(18)22/h2-7,12H,8-11,23H2,1H3 |
| Molecular Weight | 441.9 |
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 | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperazines |
| Alternative Parents | N-arylpiperazines Nitrobenzenes Aniline and substituted anilines Dialkylarylamines Nitroaromatic compounds Chlorobenzenes Aryl chlorides Heteroaromatic compounds Isoxazoles Tertiary carboxylic acid amides Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organooxygen compounds Hydrocarbon derivatives Primary amines Organochlorides Organic oxides Organic cations |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - Nitrobenzene - Nitroaromatic compound - Dialkylarylamine - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Isoxazole - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - C-nitro compound - Organic nitro compound - Amino acid or derivatives - Carboxamide group - Tertiary amine - Oxacycle - Organic oxoazanium - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - Organohalogen compound - Organochloride - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Primary amine - Organic oxide - Organic cation - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 441.900 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 441.12 Da |
| Monoisotopic Mass | 441.12 Da |
| Topological Polar Surface Area | 121.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 648.000 |
| 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 |
