About 8-[[2-tert-butyl-4-(2,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;tetrakis(carbon dioxide);3-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
8-[[2-tert-butyl-4-(2,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;tetrakis(carbon dioxide);3-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 157221613) has the molecular formula C177H176F13N17O31S
and a molecular weight of 3316.48 g/mol. Its IUPAC name is 8-[[2-tert-butyl-4-(2,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;tetrakis(carbon dioxide);3-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
Frequently Asked Questions
What is the IUPAC name of 8-[[2-tert-butyl-4-(2,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;tetrakis(carbon dioxide);3-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[[2-tert-butyl-4-(2,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;tetrakis(carbon dioxide);3-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 157221613) is 8-[[2-tert-butyl-4-(2,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;tetrakis(carbon dioxide);3-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[[2-tert-butyl-4-(2,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;tetrakis(carbon dioxide);3-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[[2-tert-butyl-4-(2,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;tetrakis(carbon dioxide);3-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(C)(C)c1nc(-c2cc(F)c(F)cc2F)c(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)s1.CCOc1cc(CN2CCC3(CC2)CN(c2cccc(C(=O)O)c2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1.CCOc1cc(CN2CCC3(CC2)CN(c2cccc(C(F)(F)F)c2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1.CCOc1cc(CN2CCC3(CC2)CN(c2cccnc2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1.O=C(O)c1ccc(N2CC3(CCN(Cc4ccc(-c5ccc(F)nc5)c(OCC(F)(F)F)c4)CC3)OC2=O)cc1.O=C1OC2(CCN(Cc3c(-c4ccccc4)nc4ccccn34)CC2)CN1c1ccccc1.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of 8-[[2-tert-butyl-4-(2,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;tetrakis(carbon dioxide);3-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is ATBGQLXNCKAEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F4N2O4.C31H33FN2O6.C29H32FN3O4.C28H25F4N3O5.C27H28F3N3O2S.C27H26N4O2.4CO2/c1-3-39-26-16-21(17-27(40-4-2)28(26)22-8-10-24(32)11-9-22)19-36-14-12-30(13-15-36)20-37(29(38)41-30)25-7-5-6-23(18-25)31(33,34)35;1-3-38-26-16-21(17-27(39-4-2)28(26)22-8-10-24(32)11-9-22)19-33-14-12-31(13-15-33)20-34(30(37)40-31)25-7-5-6-23(18-25)29(35)36;1-3-35-25-16-21(17-26(36-4-2)27(25)22-7-9-23(30)10-8-22)19-32-14-11-29(12-15-32)20-33(28(34)37-29)24-6-5-13-31-18-24;29-24-8-4-20(14-33-24)22-7-1-18(13-23(22)39-17-28(30,31)32)15-34-11-9-27(10-12-34)16-35(26(38)40-27)21-5-2-19(3-6-21)25(36)37;1-26(2,3)24-31-23(18-13-20(29)21(30)14-19(18)28)22(36-24)15-32-11-9-27(10-12-32)16-33(25(34)35-27)17-7-5-4-6-8-17;32-26-31(22-11-5-2-6-12-22)20-27(33-26)14-17-29(18-15-27)19-23-25(21-9-3-1-4-10-21)28-24-13-7-8-16-30(23)24;4*2-1-3/h5-11,16-18H,3-4,12-15,19-20H2,1-2H3;5-11,16-18H,3-4,12-15,19-20H2,1-2H3,(H,35,36);5-10,13,16-18H,3-4,11-12,14-15,19-20H2,1-2H3;1-8,13-14H,9-12,15-17H2,(H,36,37);4-8,13-14H,9-12,15-16H2,1-3H3;1-13,16H,14-15,17-20H2;;;;.
What are the key properties of 8-[[2-tert-butyl-4-(2,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;tetrakis(carbon dioxide);3-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[[2-tert-butyl-4-(2,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;tetrakis(carbon dioxide);3-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 3316.48 g/mol, XLogP of 33.65, 40 rotatable bonds, 2 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2-tert-butyl-4-(2,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;tetrakis(carbon dioxide);3-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 157221613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).