A1BZE
Summary
| Name: | [(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl][(4R,8M)-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone |
| Formula: | C18 H15 F3 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 392.332 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | [(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl][(4R,8M)-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone |
| OpenEye OEToolkits | 3.1.0.0 | [(1~{S},5~{R})-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | FC(F)(F)c1cc(c2cnco2)c2ncc(C(=O)N3C4CCC3COC4)n2c1 |
| InChI | InChI | 1.06 | InChI=1S/C18H15F3N4O3/c19-18(20,21)10-3-13(15-5-22-9-28-15)16-23-4-14(24(16)6-10)17(26)25-11-1-2-12(25)8-27-7-11/h3-6,9,11-12H,1-2,7-8H2/t11-,12+ |
| InChIKey | InChI | 1.06 | OANZLTUUAVMTHM-TXEJJXNPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1cn2c(cnc2c(c1)c3ocnc3)C(=O)N4[C@H]5CC[C@@H]4COC5 |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1cn2c(cnc2c(c1)c3ocnc3)C(=O)N4[CH]5CC[CH]4COC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c(cn2c(cnc2c1c3cnco3)C(=O)N4[C@@H]5CC[C@H]4COC5)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c(cn2c(cnc2c1c3cnco3)C(=O)N4C5CCC4COC5)C(F)(F)F |
