≥90% 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=C(C=CC=C2Cl)Cl)C(=O)N3CCN(CC3)C4=CC=CC=N4 |
|---|---|
| IUPAC Name | [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone |
| InChIKey | RFGDCADBISBUTA-UHFFFAOYSA-N |
| INCHI | 1S/C20H18Cl2N4O2/c1-13-17(19(24-28-13)18-14(21)5-4-6-15(18)22)20(27)26-11-9-25(10-12-26)16-7-2-3-8-23-16/h2-8H,9-12H2,1H3 |
| Isomeric SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N3CCN(CC3)C4=CC=CC=N4 |
| PubChem CID | 1364611 |
| Molecular Weight | 417.3 |
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 | Pyridinylpiperazines |
| Alternative Parents | N-arylpiperazines Dialkylarylamines Dichlorobenzenes Aminopyridines and derivatives Aryl chlorides Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Isoxazoles Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Organochlorides Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridinylpiperazine - N-arylpiperazine - 1,3-dichlorobenzene - Dialkylarylamine - Chlorobenzene - Halobenzene - Aminopyridine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Aryl chloride - Pyridine - Aryl halide - Heteroaromatic compound - Tertiary carboxylic acid amide - Isoxazole - Azole - Carboxamide group - Oxacycle - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring. |
| External Descriptors | Not available |
| Molecular Weight | 417.300 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 416.081 Da |
| Monoisotopic Mass | 416.081 Da |
| Topological Polar Surface Area | 62.500 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 536.000 |
| 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 |
