for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=C(O3)C4=CC=NC=C4 |
|---|---|
| IUPAC Name | 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole |
| InChIKey | HNTUWEZDVRVSFY-UHFFFAOYSA-N |
| INCHI | 1S/C16H11N5O2S/c1-2-4-11(5-3-1)14-18-13(23-21-14)10-24-16-20-19-15(22-16)12-6-8-17-9-7-12/h1-9H,10H2 |
| Isómeros SMILES | C1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=C(O3)C4=CC=NC=C4 |
| PubChem CID | 17408143 |
| Peso molecular | 337.36 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azoles |
| Subclass | Oxadiazoles |
| Intermediate Tree Nodes | 1,2,4-oxadiazoles |
| Direct Parent | Phenyloxadiazoles |
| Alternative Parents | Alkylarylthioethers Pyridines and derivatives Benzene and substituted derivatives Heteroaromatic compounds 1,3,4-oxadiazoles Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenyl-1,2,4-oxadiazole - Aryl thioether - Alkylarylthioether - Monocyclic benzene moiety - Pyridine - Benzenoid - 1,3,4-oxadiazole - Heteroaromatic compound - Sulfenyl compound - Thioether - Azacycle - Oxacycle - Hydrocarbon derivative - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond. |
| External Descriptors | Not available |
| Peso molecular | 337.400 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 337.063 Da |
| Monoisotopic Mass | 337.063 Da |
| Topological Polar Surface Area | 116.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 393.000 |
| 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 |
![4-(5-{[(3-Phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyridine - CAS No(919936-70-2) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/P/1/P1034010.jpg)