About (4S)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one;(4S,5R)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5-methyl-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-1,3-oxazolidin-2-one;(4R,5S)-1-[[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
(4S)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one;(4S,5R)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5-methyl-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-1,3-oxazolidin-2-one;(4R,5S)-1-[[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 162025389) has the molecular formula C118H129F7N4O10
and a molecular weight of 1896.33 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one;(4S,5R)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5-methyl-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-1,3-oxazolidin-2-one;(4R,5S)-1-[[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-2-one.
Frequently Asked Questions
What is the IUPAC name of (4S)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one;(4S,5R)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5-methyl-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-1,3-oxazolidin-2-one;(4R,5S)-1-[[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one;(4S,5R)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5-methyl-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-1,3-oxazolidin-2-one;(4R,5S)-1-[[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 162025389) is (4S)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one;(4S,5R)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5-methyl-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-1,3-oxazolidin-2-one;(4R,5S)-1-[[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one;(4S,5R)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5-methyl-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-1,3-oxazolidin-2-one;(4R,5S)-1-[[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one;(4S,5R)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5-methyl-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-1,3-oxazolidin-2-one;(4R,5S)-1-[[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-2-one is COc1cc(F)c(C(C)C)cc1-c1ccc(C)cc1CN1C(=O)OC(C)(C)[C@@H]1Cc1ccccc1.COc1cc(F)c(C(C)C)cc1-c1ccc(C)cc1CN1C(=O)OC[C@H]1Cc1ccccc1.COc1cc(F)c(C(C)C)cc1-c1ccc(C)cc1CN1C(=O)O[C@H](C)[C@@H]1Cc1ccccc1.Cc1cc([C@H]2CC(=O)N(Cc3cc(C)ccc3-c3cc(C(C)C)c(F)cc3C)[C@H]2C)cc(C(F)(F)F)c1.
What is the InChIKey of (4S)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one;(4S,5R)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5-methyl-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-1,3-oxazolidin-2-one;(4R,5S)-1-[[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is YVHNCLIGDLKRFG-VAGVTLRQSA-N. The full InChI is InChI=1S/C31H33F4NO.C30H34FNO3.C29H32FNO3.C28H30FNO3/c1-17(2)26-14-27(20(5)12-29(26)32)25-8-7-18(3)9-23(25)16-36-21(6)28(15-30(36)37)22-10-19(4)11-24(13-22)31(33,34)35;1-19(2)24-16-25(27(34-6)17-26(24)31)23-13-12-20(3)14-22(23)18-32-28(30(4,5)35-29(32)33)15-21-10-8-7-9-11-21;1-18(2)24-15-25(28(33-5)16-26(24)30)23-12-11-19(3)13-22(23)17-31-27(20(4)34-29(31)32)14-21-9-7-6-8-10-21;1-18(2)24-14-25(27(32-4)15-26(24)29)23-11-10-19(3)12-21(23)16-30-22(17-33-28(30)31)13-20-8-6-5-7-9-20/h7-14,17,21,28H,15-16H2,1-6H3;7-14,16-17,19,28H,15,18H2,1-6H3;6-13,15-16,18,20,27H,14,17H2,1-5H3;5-12,14-15,18,22H,13,16-17H2,1-4H3/t21-,28-;28-;20-,27+;22-/m0011/s1.
What are the key properties of (4S)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one;(4S,5R)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5-methyl-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-1,3-oxazolidin-2-one;(4R,5S)-1-[[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-2-one?
(4S)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one;(4S,5R)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5-methyl-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-1,3-oxazolidin-2-one;(4R,5S)-1-[[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 1896.33 g/mol, XLogP of 29.12, 26 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one;(4S,5R)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5-methyl-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-1,3-oxazolidin-2-one;(4R,5S)-1-[[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-5-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 162025389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).