A1BZE

[(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

Created:2025-03-06
Last modified:  2025-07-02

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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count2
Bond Count47
Aromatic Bond Count15
2D diagram of A1BZE
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Chemical Component 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
Systematic Name (OpenEye OEToolkits)[(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
FormulaC18 H15 F3 N4 O3
Molecular Weight392.332
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52FC(F)(F)c1cc(c2cnco2)c2ncc(C(=O)N3C4CCC3COC4)n2c1
SMILESCACTVS3.385FC(F)(F)c1cn2c(cnc2c(c1)c3ocnc3)C(=O)N4[CH]5CC[CH]4COC5
SMILESOpenEye OEToolkits3.1.0.0c1c(cn2c(cnc2c1c3cnco3)C(=O)N4C5CCC4COC5)C(F)(F)F
Canonical SMILESCACTVS3.385 FC(F)(F)c1cn2c(cnc2c(c1)c3ocnc3)C(=O)N4[C@H]5CC[C@@H]4COC5
Canonical SMILESOpenEye OEToolkits3.1.0.0 c1c(cn2c(cnc2c1c3cnco3)C(=O)N4[C@@H]5CC[C@H]4COC5)C(F)(F)F
InChIInChI1.06 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+
InChIKeyInChI1.06 OANZLTUUAVMTHM-TXEJJXNPSA-N

Related Resource References

Resource NameReference
PubChem 73602805