ethyl 5-(1,3-oxazolidin-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate

C10H11F3N2O3S — CID 162572814

IUPACethyl 5-(1,3-oxazolidin-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C(F)(F)F)sc1N1CCOC1
InChIInChI=1S/C10H11F3N2O3S/c1-2-18-8(16)6-7(15-3-4-17-5-15)19-9(14-6)10(11,12)13/h2-5H2,1H3
InChIKeyWNKWWTFXZINNTB-UHFFFAOYSA-N
MW296.27 g/mol
LogP2.13
Rot. Bonds3

About ethyl 5-(1,3-oxazolidin-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate

ethyl 5-(1,3-oxazolidin-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate (PubChem CID 162572814) has the molecular formula C10H11F3N2O3S and a molecular weight of 296.27 g/mol. Its IUPAC name is ethyl 5-(1,3-oxazolidin-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1,3-oxazolidin-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
PubChem CID162572814
Molecular FormulaC10H11F3N2O3S
Molecular Weight296.27 g/mol
Exact Mass296.04
IUPAC Nameethyl 5-(1,3-oxazolidin-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C(F)(F)F)sc1N1CCOC1
InChIInChI=1S/C10H11F3N2O3S/c1-2-18-8(16)6-7(15-3-4-17-5-15)19-9(14-6)10(11,12)13/h2-5H2,1H3
InChIKeyWNKWWTFXZINNTB-UHFFFAOYSA-N
XLogP2.13
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 5-(1,3-oxazolidin-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10752598, Example 14
CID 126482862
US11390631, Example 335
CID 126482463
Methyl 2-bromo-5-morpholinothiazole-4-carboxylate
CID 126482676
US11390631, Example 272
CID 126483334
Ethyl 2-methyl-5-(methylamino)thiazole-4-carboxylate
CID 14616139
methyl 5-[(3R)-3-methylpiperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 89726179
Methyl 5-(3-methylpiperazin-1-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 89726180
methyl 5-[(3R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 89726366
Methyl 5-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 89726368
Methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 117834216
methyl 5-[(3R)-3-ethylpiperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 117834413
5-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
CID 126482316

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1,3-oxazolidin-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(1,3-oxazolidin-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate (CID 162572814) is ethyl 5-(1,3-oxazolidin-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(1,3-oxazolidin-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(1,3-oxazolidin-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C(F)(F)F)sc1N1CCOC1.
What is the InChIKey of ethyl 5-(1,3-oxazolidin-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The InChIKey is WNKWWTFXZINNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3S/c1-2-18-8(16)6-7(15-3-4-17-5-15)19-9(14-6)10(11,12)13/h2-5H2,1H3.
What are the key properties of ethyl 5-(1,3-oxazolidin-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
ethyl 5-(1,3-oxazolidin-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate has a molecular weight of 296.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1,3-oxazolidin-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 162572814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).