ethyl 4-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]-5-methyl-1,3-thiazole-2-carboxylate

C34H33F3N2O5S — CID 58356004

IUPACethyl 4-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]-5-methyl-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(OC)c(-c3ccc(C)cc3CN3C(=O)O[C@H](c4cc(C)cc(C(F)(F)F)c4)[C@@H]3C)c2)c(C)s1
InChIInChI=1S/C34H33F3N2O5S/c1-7-43-32(40)31-38-29(21(5)45-31)22-9-11-28(42-6)27(16-22)26-10-8-18(2)12-24(26)17-39-20(4)30(44-33(39)41)23-13-19(3)14-25(15-23)34(35,36)37/h8-16,20,30H,7,17H2,1-6H3/t20-,30-/m0/s1
InChIKeyVBVNVZXKTRBJJZ-WRGVRERRSA-N
MW638.71 g/mol
LogP8.69
Rot. Bonds8

About ethyl 4-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]-5-methyl-1,3-thiazole-2-carboxylate

ethyl 4-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]-5-methyl-1,3-thiazole-2-carboxylate (PubChem CID 58356004) has the molecular formula C34H33F3N2O5S and a molecular weight of 638.71 g/mol. Its IUPAC name is ethyl 4-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]-5-methyl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]-5-methyl-1,3-thiazole-2-carboxylate
PubChem CID58356004
Molecular FormulaC34H33F3N2O5S
Molecular Weight638.71 g/mol
Exact Mass638.21
IUPAC Nameethyl 4-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]-5-methyl-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(OC)c(-c3ccc(C)cc3CN3C(=O)O[C@H](c4cc(C)cc(C(F)(F)F)c4)[C@@H]3C)c2)c(C)s1
InChIInChI=1S/C34H33F3N2O5S/c1-7-43-32(40)31-38-29(21(5)45-31)22-9-11-28(42-6)27(16-22)26-10-8-18(2)12-24(26)17-39-20(4)30(44-33(39)41)23-13-19(3)14-25(15-23)34(35,36)37/h8-16,20,30H,7,17H2,1-6H3/t20-,30-/m0/s1
InChIKeyVBVNVZXKTRBJJZ-WRGVRERRSA-N
XLogP8.69
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.71
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]-5-methyl-1,3-thiazole-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]-5-methyl-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]-5-methyl-1,3-thiazole-2-carboxylate (CID 58356004) is ethyl 4-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]-5-methyl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]-5-methyl-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]-5-methyl-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(-c2ccc(OC)c(-c3ccc(C)cc3CN3C(=O)O[C@H](c4cc(C)cc(C(F)(F)F)c4)[C@@H]3C)c2)c(C)s1.
What is the InChIKey of ethyl 4-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]-5-methyl-1,3-thiazole-2-carboxylate?
The InChIKey is VBVNVZXKTRBJJZ-WRGVRERRSA-N. The full InChI is InChI=1S/C34H33F3N2O5S/c1-7-43-32(40)31-38-29(21(5)45-31)22-9-11-28(42-6)27(16-22)26-10-8-18(2)12-24(26)17-39-20(4)30(44-33(39)41)23-13-19(3)14-25(15-23)34(35,36)37/h8-16,20,30H,7,17H2,1-6H3/t20-,30-/m0/s1.
What are the key properties of ethyl 4-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]-5-methyl-1,3-thiazole-2-carboxylate?
ethyl 4-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]-5-methyl-1,3-thiazole-2-carboxylate has a molecular weight of 638.71 g/mol, XLogP of 8.69, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]-5-methyl-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 58356004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).