HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 19082041Generated: October 26, 2026
3-[3,5-Dimethyl-4-[3-(1-methylpyridin-1-ium-3-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
https://huagongshe.com/en/chemical/19082041
Identifiers & Physical Properties
| Molecular formula | C20H21F3N3O2+ |
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| Average molar mass | 392.4 g/mol |
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| SMILES | Cc1cc(-c2noc(C(F)(F)F)n2)cc(C)c1OCCCc1ccc[n+](C)c1 |
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| InChIKey | JJRBGGCVUOEGLN-UHFFFAOYSA-N |
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| PubChem CID | 19082041 |
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Chemical & Physical Properties
| XLogP | 4.8 |
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| Topological polar surface area | 52 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 6 |
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| Heavy atoms | 28 |
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| Formal charge | 1 |
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| Complexity | 482 |
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![3-[3,5-Dimethyl-4-[3-(1-methylpyridin-1-ium-3-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole molecular structure](/img/chemical/19082041.png)