ethyl 3-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxylate

C13H10F3NO3 — CID 23465079

IUPACethyl 3-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1conc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H10F3NO3/c1-2-19-12(18)10-7-20-17-11(10)8-4-3-5-9(6-8)13(14,15)16/h3-7H,2H2,1H3
InChIKeyNYSRAIBXRBPJQU-UHFFFAOYSA-N
MW285.22 g/mol
LogP3.54
Rot. Bonds3

About ethyl 3-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxylate

ethyl 3-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxylate (PubChem CID 23465079) has the molecular formula C13H10F3NO3 and a molecular weight of 285.22 g/mol. Its IUPAC name is ethyl 3-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxylate
PubChem CID23465079
Molecular FormulaC13H10F3NO3
Molecular Weight285.22 g/mol
Exact Mass285.06
IUPAC Nameethyl 3-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1conc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H10F3NO3/c1-2-19-12(18)10-7-20-17-11(10)8-4-3-5-9(6-8)13(14,15)16/h3-7H,2H2,1H3
InChIKeyNYSRAIBXRBPJQU-UHFFFAOYSA-N
XLogP3.54
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[3-(trifluoromethyl)phenyl]-1,2-oxazole-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

ethyl 3-phenyl-1,2-oxazole-4-carboxylate
CID 871048
ethyl 3-(3-cyanophenyl)-1,2-oxazole-4-carboxylate
CID 23465061
ethyl 3-(4-ethylphenyl)-1,2-oxazole-4-carboxylate
CID 867446
ethyl 2-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate
CID 150465192
ethyl 2-(trifluoromethoxy)-4-[3-(trifluoromethyl)phenyl]benzoate
CID 134622584
ethyl 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 2739543
ethyl 6,8-dichloro-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate
CID 631054
ethyl 3-amino-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate
CID 43332711
ethyl 3-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylate
CID 154642728
ethyl 5,6-dichloro-4-oxo-2-[3-(trifluoromethyl)phenyl]pyran-3-carboxylate
CID 13021482
4-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 163816150
ethyl 2-(4-methyl-2-phenylpyrimidin-5-yl)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 162537231

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 3-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxylate (CID 23465079) is ethyl 3-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 3-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 3-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxylate is CCOC(=O)c1conc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of ethyl 3-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxylate?
The InChIKey is NYSRAIBXRBPJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO3/c1-2-19-12(18)10-7-20-17-11(10)8-4-3-5-9(6-8)13(14,15)16/h3-7H,2H2,1H3.
What are the key properties of ethyl 3-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxylate?
ethyl 3-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxylate has a molecular weight of 285.22 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 23465079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).