Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
Moligand™ Moligand™ 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.
| Sorrisi canonici | Fc1ccc(cc1)c1noc(n1)[C@H]1CCn2c(C1)nnc2C(C)(C)C |
|---|---|
| IUPAC Name | 5-[(7S)-3-tert-butyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole |
| InChIKey | NPRJTKMKUYJGAL-LBPRGKRZSA-N |
| INCHI | 1S/C18H20FN5O/c1-18(2,3)17-22-21-14-10-12(8-9-24(14)17)16-20-15(23-25-16)11-4-6-13(19)7-5-11/h4-7,12H,8-10H2,1-3H3/t12-/m0/s1 |
| Isomeri SMILES | CC(C)(C)C1=NN=C2N1CC[C@@H](C2)C3=NC(=NO3)C4=CC=C(C=C4)F |
| PubChem CID | 53252525 |
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 |
| Classe | Azoles |
| Subclass | Oxadiazoles |
| Intermediate Tree Nodes | 1,2,4-oxadiazoles |
| Direct Parent | Phenyloxadiazoles |
| Alternative Parents | Triazolopyridines Fluorobenzenes Pyridines and derivatives Aryl fluorides Triazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenyl-1,2,4-oxadiazole - Triazolopyridine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Triazole - 1,2,4-triazole - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descrizione | 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 |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Peso molecolare | 341.400 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 341.165 Da |
| Monoisotopic Mass | 341.165 Da |
| Topological Polar Surface Area | 69.600 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 465.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
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