ethyl 2-(trifluoromethylsulfanyl)-1,3-oxazole-5-carboxylate

C7H6F3NO3S — CID 156769459

IUPACethyl 2-(trifluoromethylsulfanyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1cnc(SC(F)(F)F)o1
InChIInChI=1S/C7H6F3NO3S/c1-2-13-5(12)4-3-11-6(14-4)15-7(8,9)10/h3H,2H2,1H3
InChIKeyGKGURYHYFZEBGM-UHFFFAOYSA-N
MW241.19 g/mol
LogP2.46
Rot. Bonds3

About ethyl 2-(trifluoromethylsulfanyl)-1,3-oxazole-5-carboxylate

ethyl 2-(trifluoromethylsulfanyl)-1,3-oxazole-5-carboxylate (PubChem CID 156769459) has the molecular formula C7H6F3NO3S and a molecular weight of 241.19 g/mol. Its IUPAC name is ethyl 2-(trifluoromethylsulfanyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(trifluoromethylsulfanyl)-1,3-oxazole-5-carboxylate
PubChem CID156769459
Molecular FormulaC7H6F3NO3S
Molecular Weight241.19 g/mol
Exact Mass241.00
IUPAC Nameethyl 2-(trifluoromethylsulfanyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1cnc(SC(F)(F)F)o1
InChIInChI=1S/C7H6F3NO3S/c1-2-13-5(12)4-3-11-6(14-4)15-7(8,9)10/h3H,2H2,1H3
InChIKeyGKGURYHYFZEBGM-UHFFFAOYSA-N
XLogP2.46
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 1,3-oxazole-5-carboxylate
CID 10964603
Ethyl 2-chloro-1,3-oxazole-5-carboxylate
CID 26369855
Methyl 2-chloro-1,3-oxazole-5-carboxylate
CID 26370182
Methyl 2-bromo-1,3-oxazole-5-carboxylate
CID 37818714
Ethyl 2-bromo-1,3-oxazole-5-carboxylate
CID 37818738
Methyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 112756546
Ethyl 2-methyloxazole-5-carboxylate
CID 12639612
Ethyl 2-iodo-1,3-oxazole-5-carboxylate
CID 10683222
1,1-Difluoro-2-(1,3-oxazole-5-carbonyloxy)ethanesulfonic acid
CID 89771792
1,1,3,3,3-Pentafluoro-2-(1,3-oxazole-5-carbonyloxy)propane-1-sulfonic acid
CID 89771796
Fluoro 1,3-oxazole-5-carboxylate
CID 153568098
Trifluoromethyl 1,3-oxazole-5-carboxylate
CID 153955862

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(trifluoromethylsulfanyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-(trifluoromethylsulfanyl)-1,3-oxazole-5-carboxylate (CID 156769459) is ethyl 2-(trifluoromethylsulfanyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(trifluoromethylsulfanyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-(trifluoromethylsulfanyl)-1,3-oxazole-5-carboxylate is CCOC(=O)c1cnc(SC(F)(F)F)o1.
What is the InChIKey of ethyl 2-(trifluoromethylsulfanyl)-1,3-oxazole-5-carboxylate?
The InChIKey is GKGURYHYFZEBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO3S/c1-2-13-5(12)4-3-11-6(14-4)15-7(8,9)10/h3H,2H2,1H3.
What are the key properties of ethyl 2-(trifluoromethylsulfanyl)-1,3-oxazole-5-carboxylate?
ethyl 2-(trifluoromethylsulfanyl)-1,3-oxazole-5-carboxylate has a molecular weight of 241.19 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(trifluoromethylsulfanyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 156769459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).