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

C34H33F3N2O4S — CID 58355982

IUPACmethyl 4-[5-ethyl-4-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-1,3-thiazol-2-yl]-3-methylbenzoate
SMILESCCc1sc(-c2ccc(C(=O)OC)cc2C)nc1-c1ccc(C)cc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C
InChIInChI=1S/C34H33F3N2O4S/c1-7-28-29(38-31(44-28)26-11-9-22(15-20(26)4)32(40)42-6)27-10-8-18(2)12-24(27)17-39-21(5)30(43-33(39)41)23-13-19(3)14-25(16-23)34(35,36)37/h8-16,21,30H,7,17H2,1-6H3/t21-,30-/m0/s1
InChIKeyDGXNUBQSPLRZQR-JRPXNJEYSA-N
MW622.71 g/mol
LogP8.85
Rot. Bonds7

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

methyl 4-[5-ethyl-4-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-1,3-thiazol-2-yl]-3-methylbenzoate (PubChem CID 58355982) has the molecular formula C34H33F3N2O4S and a molecular weight of 622.71 g/mol. Its IUPAC name is methyl 4-[5-ethyl-4-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-1,3-thiazol-2-yl]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[5-ethyl-4-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-1,3-thiazol-2-yl]-3-methylbenzoate
PubChem CID58355982
Molecular FormulaC34H33F3N2O4S
Molecular Weight622.71 g/mol
Exact Mass622.21
IUPAC Namemethyl 4-[5-ethyl-4-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-1,3-thiazol-2-yl]-3-methylbenzoate
SMILESCCc1sc(-c2ccc(C(=O)OC)cc2C)nc1-c1ccc(C)cc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C
InChIInChI=1S/C34H33F3N2O4S/c1-7-28-29(38-31(44-28)26-11-9-22(15-20(26)4)32(40)42-6)27-10-8-18(2)12-24(27)17-39-21(5)30(43-33(39)41)23-13-19(3)14-25(16-23)34(35,36)37/h8-16,21,30H,7,17H2,1-6H3/t21-,30-/m0/s1
InChIKeyDGXNUBQSPLRZQR-JRPXNJEYSA-N
XLogP8.85
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.71
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

4-Vinylbenzoic acid 4-[4-[2-(5-methyl-2-phenyl-4-thiazolyl)-3,3,4,4,5,5-hexafluoro-1-cyclopentenyl]-5-methyl-2-thiazolyl]benzyl ester
CID 101579966
(4S,5R)-3-[2-(4-acetyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)benzyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 11664349
(4S,5R)-3-[[2-[4-(4-acetyl-2-methylphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)phenyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 25010056
methyl 4-{4-[2-({(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl}methyl)-4-(trifluoromethyl)phenyl]-5-ethyl-1,3-thiazol-2-yl}-3-methylbenzoate
CID 25010233
4-{4-[2-({(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl}methyl)-4-(trifluoromethyl)phenyl]-5-ethyl-1,3-thiazol-2-yl}-3-methylbenzoic acid
CID 25010234
4-[2-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-3-methylbenzoic acid
CID 57704802
Methyl 4-[4-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-4-(trifluoromethyl)phenyl]-5-ethyl-1,3-thiazol-2-yl]benzoate
CID 57878007
4-[5-ethyl-4-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-1,3-thiazol-2-yl]-3-methylbenzoic acid
CID 58355885
3-methyl-4-[2-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-1,3-thiazol-4-yl]benzoic acid
CID 58356014
[4-[4-(2,4-Dimethyl-5-phenyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 59209920
4-([4-Methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-yl)-methoxymethyl]-benzoic acid methyl ester
CID 67073731
(R)-2-methyl-5-{1-[4-methyl-2-(4-trifluoromethyl-phenyl)-thiazole-5-carbonyl]-piperidin-3-yl}-benzoic acid ethyl ester
CID 68884364

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-ethyl-4-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-1,3-thiazol-2-yl]-3-methylbenzoate?
The IUPAC name of methyl 4-[5-ethyl-4-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-1,3-thiazol-2-yl]-3-methylbenzoate (CID 58355982) is methyl 4-[5-ethyl-4-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-1,3-thiazol-2-yl]-3-methylbenzoate.
What is the SMILES notation for methyl 4-[5-ethyl-4-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-1,3-thiazol-2-yl]-3-methylbenzoate?
The canonical SMILES for methyl 4-[5-ethyl-4-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-1,3-thiazol-2-yl]-3-methylbenzoate is CCc1sc(-c2ccc(C(=O)OC)cc2C)nc1-c1ccc(C)cc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C.
What is the InChIKey of methyl 4-[5-ethyl-4-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-1,3-thiazol-2-yl]-3-methylbenzoate?
The InChIKey is DGXNUBQSPLRZQR-JRPXNJEYSA-N. The full InChI is InChI=1S/C34H33F3N2O4S/c1-7-28-29(38-31(44-28)26-11-9-22(15-20(26)4)32(40)42-6)27-10-8-18(2)12-24(27)17-39-21(5)30(43-33(39)41)23-13-19(3)14-25(16-23)34(35,36)37/h8-16,21,30H,7,17H2,1-6H3/t21-,30-/m0/s1.
What are the key properties of methyl 4-[5-ethyl-4-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-1,3-thiazol-2-yl]-3-methylbenzoate?
methyl 4-[5-ethyl-4-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-1,3-thiazol-2-yl]-3-methylbenzoate has a molecular weight of 622.71 g/mol, XLogP of 8.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-ethyl-4-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-1,3-thiazol-2-yl]-3-methylbenzoate is sourced from PubChem (CID 58355982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).