4-[8-[[3-tert-butyl-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-tert-butyl-4-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(4-chloro-3-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(3,4-dichloro-5-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-ethoxy-4-(1,3-thiazol-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[3-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid

C211H222Cl3F9N18O39S — CID 157088264

IUPAC4-[8-[[3-tert-butyl-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-tert-butyl-4-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(4-chloro-3-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(3,4-dichloro-5-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-ethoxy-4-(1,3-thiazol-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[3-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
SMILESCC(C)(C)c1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1-c1ccc(F)cc1.CC(C)(C)c1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1OC(F)(F)F.CC(C)c1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1OC(F)(F)F.CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc(Cl)c1Cl.CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1-c1nccs1.CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1Cl.COCc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1-c1ccc(F)cc1.COCc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1-c1ccc(F)nc1
InChIInChI=1S/C31H33FN2O4.C29H29FN2O5.C28H28FN3O5.C26H29F3N2O5.C26H27N3O5S.C25H27F3N2O5.C23H24Cl2N2O5.C23H25ClN2O5/c1-30(2,3)27-18-21(4-13-26(27)22-5-9-24(32)10-6-22)19-33-16-14-31(15-17-33)20-34(29(37)38-31)25-11-7-23(8-12-25)28(35)36;1-36-18-23-16-20(2-11-26(23)21-3-7-24(30)8-4-21)17-31-14-12-29(13-15-31)19-32(28(35)37-29)25-9-5-22(6-10-25)27(33)34;1-36-17-22-14-19(2-8-24(22)21-5-9-25(29)30-15-21)16-31-12-10-28(11-13-31)18-32(27(35)37-28)23-6-3-20(4-7-23)26(33)34;1-24(2,3)20-14-17(4-9-21(20)35-26(27,28)29)15-30-12-10-25(11-13-30)16-31(23(34)36-25)19-7-5-18(6-8-19)22(32)33;1-2-33-22-15-18(3-8-21(22)23-27-11-14-35-23)16-28-12-9-26(10-13-28)17-29(25(32)34-26)20-6-4-19(5-7-20)24(30)31;1-16(2)20-13-17(3-8-21(20)34-25(26,27)28)14-29-11-9-24(10-12-29)15-30(23(33)35-24)19-6-4-18(5-7-19)22(31)32;1-2-31-19-12-15(11-18(24)20(19)25)13-26-9-7-23(8-10-26)14-27(22(30)32-23)17-5-3-16(4-6-17)21(28)29;1-2-30-20-13-16(3-8-19(20)24)14-25-11-9-23(10-12-25)15-26(22(29)31-23)18-6-4-17(5-7-18)21(27)28/h4-13,18H,14-17,19-20H2,1-3H3,(H,35,36);2-11,16H,12-15,17-19H2,1H3,(H,33,34);2-9,14-15H,10-13,16-18H2,1H3,(H,33,34);4-9,14H,10-13,15-16H2,1-3H3,(H,32,33);3-8,11,14-15H,2,9-10,12-13,16-17H2,1H3,(H,30,31);3-8,13,16H,9-12,14-15H2,1-2H3,(H,31,32);3-6,11-12H,2,7-10,13-14H2,1H3,(H,28,29);3-8,13H,2,9-12,14-15H2,1H3,(H,27,28)
InChIKeyAEIQBBGXMVQYHW-UHFFFAOYSA-N
MW3943.59 g/mol
LogP41.91
Rot. Bonds49

About 4-[8-[[3-tert-butyl-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-tert-butyl-4-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(4-chloro-3-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(3,4-dichloro-5-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-ethoxy-4-(1,3-thiazol-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[3-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid

4-[8-[[3-tert-butyl-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-tert-butyl-4-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(4-chloro-3-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(3,4-dichloro-5-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-ethoxy-4-(1,3-thiazol-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[3-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid (PubChem CID 157088264) has the molecular formula C211H222Cl3F9N18O39S and a molecular weight of 3943.59 g/mol. Its IUPAC name is 4-[8-[[3-tert-butyl-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-tert-butyl-4-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(4-chloro-3-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(3,4-dichloro-5-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-ethoxy-4-(1,3-thiazol-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[3-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[8-[[3-tert-butyl-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-tert-butyl-4-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(4-chloro-3-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(3,4-dichloro-5-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-ethoxy-4-(1,3-thiazol-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[3-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
PubChem CID157088264
Molecular FormulaC211H222Cl3F9N18O39S
Molecular Weight3943.59 g/mol
Exact Mass3939.46
IUPAC Name4-[8-[[3-tert-butyl-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-tert-butyl-4-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(4-chloro-3-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(3,4-dichloro-5-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-ethoxy-4-(1,3-thiazol-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[3-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
SMILESCC(C)(C)c1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1-c1ccc(F)cc1.CC(C)(C)c1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1OC(F)(F)F.CC(C)c1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1OC(F)(F)F.CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc(Cl)c1Cl.CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1-c1nccs1.CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1Cl.COCc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1-c1ccc(F)cc1.COCc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1-c1ccc(F)nc1
InChIInChI=1S/C31H33FN2O4.C29H29FN2O5.C28H28FN3O5.C26H29F3N2O5.C26H27N3O5S.C25H27F3N2O5.C23H24Cl2N2O5.C23H25ClN2O5/c1-30(2,3)27-18-21(4-13-26(27)22-5-9-24(32)10-6-22)19-33-16-14-31(15-17-33)20-34(29(37)38-31)25-11-7-23(8-12-25)28(35)36;1-36-18-23-16-20(2-11-26(23)21-3-7-24(30)8-4-21)17-31-14-12-29(13-15-31)19-32(28(35)37-29)25-9-5-22(6-10-25)27(33)34;1-36-17-22-14-19(2-8-24(22)21-5-9-25(29)30-15-21)16-31-12-10-28(11-13-31)18-32(27(35)37-28)23-6-3-20(4-7-23)26(33)34;1-24(2,3)20-14-17(4-9-21(20)35-26(27,28)29)15-30-12-10-25(11-13-30)16-31(23(34)36-25)19-7-5-18(6-8-19)22(32)33;1-2-33-22-15-18(3-8-21(22)23-27-11-14-35-23)16-28-12-9-26(10-13-28)17-29(25(32)34-26)20-6-4-19(5-7-20)24(30)31;1-16(2)20-13-17(3-8-21(20)34-25(26,27)28)14-29-11-9-24(10-12-29)15-30(23(33)35-24)19-6-4-18(5-7-19)22(31)32;1-2-31-19-12-15(11-18(24)20(19)25)13-26-9-7-23(8-10-26)14-27(22(30)32-23)17-5-3-16(4-6-17)21(28)29;1-2-30-20-13-16(3-8-19(20)24)14-25-11-9-23(10-12-25)15-26(22(29)31-23)18-6-4-17(5-7-18)21(27)28/h4-13,18H,14-17,19-20H2,1-3H3,(H,35,36);2-11,16H,12-15,17-19H2,1H3,(H,33,34);2-9,14-15H,10-13,16-18H2,1H3,(H,33,34);4-9,14H,10-13,15-16H2,1-3H3,(H,32,33);3-8,11,14-15H,2,9-10,12-13,16-17H2,1H3,(H,30,31);3-8,13,16H,9-12,14-15H2,1-2H3,(H,31,32);3-6,11-12H,2,7-10,13-14H2,1H3,(H,28,29);3-8,13H,2,9-12,14-15H2,1H3,(H,27,28)
InChIKeyAEIQBBGXMVQYHW-UHFFFAOYSA-N
XLogP41.91
TPSA651.03 Ų
H-Bond Donors8
H-Bond Acceptors42
Rotatable Bonds49
Heavy Atoms281
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003943.59
LogP ≤ 541.91
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1042

Analyze 4-[8-[[3-tert-butyl-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-tert-butyl-4-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(4-chloro-3-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(3,4-dichloro-5-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-ethoxy-4-(1,3-thiazol-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[3-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid with MolForge

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Related Compounds

Bis(carbon dioxide);8-[[5-chloro-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-2-(1,3-thiazol-2-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-naphthalen-2-yl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
CID 157060487
CID 157244171
CID 157244171
4-[8-[[1-Tert-butyl-3-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2-fluoro-4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[[5-chloro-2-(6-fluoro-3-pyridinyl)-4-methylphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-2-(1,3-thiazol-2-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 159431036
4-[8-[[1-Tert-butyl-3-(2-fluoro-4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;bis(carbon dioxide);4-[8-[[3-(3-chloro-4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclohexyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-4-methyl-2-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-2-(1,3-thiazol-2-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 157702716

Frequently Asked Questions

What is the IUPAC name of 4-[8-[[3-tert-butyl-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-tert-butyl-4-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(4-chloro-3-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(3,4-dichloro-5-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-ethoxy-4-(1,3-thiazol-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[3-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?
The IUPAC name of 4-[8-[[3-tert-butyl-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-tert-butyl-4-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(4-chloro-3-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(3,4-dichloro-5-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-ethoxy-4-(1,3-thiazol-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[3-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid (CID 157088264) is 4-[8-[[3-tert-butyl-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-tert-butyl-4-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(4-chloro-3-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(3,4-dichloro-5-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-ethoxy-4-(1,3-thiazol-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[3-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid.
What is the SMILES notation for 4-[8-[[3-tert-butyl-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-tert-butyl-4-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(4-chloro-3-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(3,4-dichloro-5-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-ethoxy-4-(1,3-thiazol-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[3-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?
The canonical SMILES for 4-[8-[[3-tert-butyl-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-tert-butyl-4-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(4-chloro-3-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(3,4-dichloro-5-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-ethoxy-4-(1,3-thiazol-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[3-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid is CC(C)(C)c1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1-c1ccc(F)cc1.CC(C)(C)c1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1OC(F)(F)F.CC(C)c1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1OC(F)(F)F.CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc(Cl)c1Cl.CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1-c1nccs1.CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1Cl.COCc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1-c1ccc(F)cc1.COCc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1-c1ccc(F)nc1.
What is the InChIKey of 4-[8-[[3-tert-butyl-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-tert-butyl-4-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(4-chloro-3-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(3,4-dichloro-5-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-ethoxy-4-(1,3-thiazol-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[3-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?
The InChIKey is AEIQBBGXMVQYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33FN2O4.C29H29FN2O5.C28H28FN3O5.C26H29F3N2O5.C26H27N3O5S.C25H27F3N2O5.C23H24Cl2N2O5.C23H25ClN2O5/c1-30(2,3)27-18-21(4-13-26(27)22-5-9-24(32)10-6-22)19-33-16-14-31(15-17-33)20-34(29(37)38-31)25-11-7-23(8-12-25)28(35)36;1-36-18-23-16-20(2-11-26(23)21-3-7-24(30)8-4-21)17-31-14-12-29(13-15-31)19-32(28(35)37-29)25-9-5-22(6-10-25)27(33)34;1-36-17-22-14-19(2-8-24(22)21-5-9-25(29)30-15-21)16-31-12-10-28(11-13-31)18-32(27(35)37-28)23-6-3-20(4-7-23)26(33)34;1-24(2,3)20-14-17(4-9-21(20)35-26(27,28)29)15-30-12-10-25(11-13-30)16-31(23(34)36-25)19-7-5-18(6-8-19)22(32)33;1-2-33-22-15-18(3-8-21(22)23-27-11-14-35-23)16-28-12-9-26(10-13-28)17-29(25(32)34-26)20-6-4-19(5-7-20)24(30)31;1-16(2)20-13-17(3-8-21(20)34-25(26,27)28)14-29-11-9-24(10-12-29)15-30(23(33)35-24)19-6-4-18(5-7-19)22(31)32;1-2-31-19-12-15(11-18(24)20(19)25)13-26-9-7-23(8-10-26)14-27(22(30)32-23)17-5-3-16(4-6-17)21(28)29;1-2-30-20-13-16(3-8-19(20)24)14-25-11-9-23(10-12-25)15-26(22(29)31-23)18-6-4-17(5-7-18)21(27)28/h4-13,18H,14-17,19-20H2,1-3H3,(H,35,36);2-11,16H,12-15,17-19H2,1H3,(H,33,34);2-9,14-15H,10-13,16-18H2,1H3,(H,33,34);4-9,14H,10-13,15-16H2,1-3H3,(H,32,33);3-8,11,14-15H,2,9-10,12-13,16-17H2,1H3,(H,30,31);3-8,13,16H,9-12,14-15H2,1-2H3,(H,31,32);3-6,11-12H,2,7-10,13-14H2,1H3,(H,28,29);3-8,13H,2,9-12,14-15H2,1H3,(H,27,28).
What are the key properties of 4-[8-[[3-tert-butyl-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-tert-butyl-4-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(4-chloro-3-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(3,4-dichloro-5-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-ethoxy-4-(1,3-thiazol-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[3-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?
4-[8-[[3-tert-butyl-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-tert-butyl-4-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(4-chloro-3-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(3,4-dichloro-5-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-ethoxy-4-(1,3-thiazol-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[3-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid has a molecular weight of 3943.59 g/mol, XLogP of 41.91, 49 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[[3-tert-butyl-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-tert-butyl-4-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(4-chloro-3-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[(3,4-dichloro-5-ethoxyphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-ethoxy-4-(1,3-thiazol-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[3-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid is sourced from PubChem (CID 157088264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).