4-[[(1r,7s,7as)-7-hydroxy-1-(trifluoromethyl)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazol-3-yl]amino]-2-chloro-3-methylbenzonitrile (CHEM291899)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-28 12:03:30 UTC | ||||||||
| Update Date | 2026-08-28 12:03:30 UTC | ||||||||
| Accession Number | CHEM291899 | ||||||||
| Identification | |||||||||
| Common Name | 4-[[(1r,7s,7as)-7-hydroxy-1-(trifluoromethyl)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazol-3-yl]amino]-2-chloro-3-methylbenzonitrile | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C15H15ClF3N3O2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 361.080 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 4-[[(1r,7s,7as)-7-hydroxy-1-(trifluoromethyl)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazol-3-yl]amino]-2-chloro-3-methylbenzonitrile | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=C(C=CC(=C1Cl)C#N)NC2N3CCC(C3C(O2)C(F)(F)F)O | ||||||||
| InChI Identifier | InChI=1S/C15H15ClF3N3O2/c1-7-9(3-2-8(6-20)11(7)16)21-14-22-5-4-10(23)12(22)13(24-14)15(17,18)19/h2-3,10,12-14,21,23H,4-5H2,1H3/t10-,12-,13+,14?/m0/s1 | ||||||||
| InChI Key | SLBHXXXPQDVSBR-RAQOOLMWSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
