4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]-N,N,3-trimethylbenzamide

C37H31F9N2O4 — CID 25009160

IUPAC4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]-N,N,3-trimethylbenzamide
SMILESCOc1ccc(-c2ccc(C(=O)N(C)C)cc2C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C
InChIInChI=1S/C37H31F9N2O4/c1-19-12-22(33(49)47(3)4)6-9-28(19)21-7-11-31(51-5)30(16-21)29-10-8-25(35(38,39)40)15-24(29)18-48-20(2)32(52-34(48)50)23-13-26(36(41,42)43)17-27(14-23)37(44,45)46/h6-17,20,32H,18H2,1-5H3/t20-,32-/m0/s1
InChIKeyOEIQHZFSAGBNHK-WEZXKFLESA-N
MW738.65 g/mol
LogP10.18
Rot. Bonds7

About 4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]-N,N,3-trimethylbenzamide

4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]-N,N,3-trimethylbenzamide (PubChem CID 25009160) has the molecular formula C37H31F9N2O4 and a molecular weight of 738.65 g/mol. Its IUPAC name is 4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]-N,N,3-trimethylbenzamide.

Molecular Properties

Compound Name4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]-N,N,3-trimethylbenzamide
PubChem CID25009160
Molecular FormulaC37H31F9N2O4
Molecular Weight738.65 g/mol
Exact Mass738.21
IUPAC Name4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]-N,N,3-trimethylbenzamide
SMILESCOc1ccc(-c2ccc(C(=O)N(C)C)cc2C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C
InChIInChI=1S/C37H31F9N2O4/c1-19-12-22(33(49)47(3)4)6-9-28(19)21-7-11-31(51-5)30(16-21)29-10-8-25(35(38,39)40)15-24(29)18-48-20(2)32(52-34(48)50)23-13-26(36(41,42)43)17-27(14-23)37(44,45)46/h6-17,20,32H,18H2,1-5H3/t20-,32-/m0/s1
InChIKeyOEIQHZFSAGBNHK-WEZXKFLESA-N
XLogP10.18
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.65
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]-N,N,3-trimethylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]-N,N,3-trimethylbenzamide?
The IUPAC name of 4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]-N,N,3-trimethylbenzamide (CID 25009160) is 4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]-N,N,3-trimethylbenzamide.
What is the SMILES notation for 4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]-N,N,3-trimethylbenzamide?
The canonical SMILES for 4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]-N,N,3-trimethylbenzamide is COc1ccc(-c2ccc(C(=O)N(C)C)cc2C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C.
What is the InChIKey of 4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]-N,N,3-trimethylbenzamide?
The InChIKey is OEIQHZFSAGBNHK-WEZXKFLESA-N. The full InChI is InChI=1S/C37H31F9N2O4/c1-19-12-22(33(49)47(3)4)6-9-28(19)21-7-11-31(51-5)30(16-21)29-10-8-25(35(38,39)40)15-24(29)18-48-20(2)32(52-34(48)50)23-13-26(36(41,42)43)17-27(14-23)37(44,45)46/h6-17,20,32H,18H2,1-5H3/t20-,32-/m0/s1.
What are the key properties of 4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]-N,N,3-trimethylbenzamide?
4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]-N,N,3-trimethylbenzamide has a molecular weight of 738.65 g/mol, XLogP of 10.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]-N,N,3-trimethylbenzamide is sourced from PubChem (CID 25009160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).