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;tris(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-(6-oxo-1H-pyridin-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-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;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;tris(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-(6-oxo-1H-pyridin-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-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;3-phenyl-8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 176542512) has the molecular formula C179H184F10N20O29S
and a molecular weight of 3301.60 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;tris(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-(6-oxo-1H-pyridin-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-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;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;tris(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-(6-oxo-1H-pyridin-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-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;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;tris(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-(6-oxo-1H-pyridin-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-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;3-phenyl-8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 176542512) 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;tris(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-(6-oxo-1H-pyridin-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-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;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;tris(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-(6-oxo-1H-pyridin-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-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;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;tris(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-(6-oxo-1H-pyridin-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-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;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(c2ccc(-c4nn[nH]n4)cc2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1.CCOc1cc(CN2CCC3(CC2)CN(c2ccc(=O)[nH]c2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1.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.O=C1OC2(CCN(Cc3c(-c4ccccc4)nc4ccccn34)CC2)CN1c1ccccc1.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;tris(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-(6-oxo-1H-pyridin-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-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;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 TVRMBKGKPMYIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F4N2O4.C31H33FN6O4.C31H33FN2O6.C29H32FN3O5.C27H28F3N3O2S.C27H26N4O2.3CO2/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;1-3-40-26-17-21(18-27(41-4-2)28(26)22-5-9-24(32)10-6-22)19-37-15-13-31(14-16-37)20-38(30(39)42-31)25-11-7-23(8-12-25)29-33-35-36-34-29;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;1-3-36-24-15-20(16-25(37-4-2)27(24)21-5-7-22(30)8-6-21)18-32-13-11-29(12-14-32)19-33(28(35)38-29)23-9-10-26(34)31-17-23;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;3*2-1-3/h5-11,16-18H,3-4,12-15,19-20H2,1-2H3;5-12,17-18H,3-4,13-16,19-20H2,1-2H3,(H,33,34,35,36);5-11,16-18H,3-4,12-15,19-20H2,1-2H3,(H,35,36);5-10,15-17H,3-4,11-14,18-19H2,1-2H3,(H,31,34);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;tris(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-(6-oxo-1H-pyridin-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-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;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;tris(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-(6-oxo-1H-pyridin-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-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;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 3301.60 g/mol, XLogP of 33.47, 42 rotatable bonds, 3 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;tris(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-(6-oxo-1H-pyridin-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-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;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 176542512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).