2-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid

C5H2F3NO3 — CID 67424422

IUPAC2-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(C(F)(F)F)n1
InChIInChI=1S/C5H2F3NO3/c6-5(7,8)4-9-2(1-12-4)3(10)11/h1H,(H,10,11)
InChIKeyMGJCQGMJTNTRSM-UHFFFAOYSA-N
MW181.07 g/mol
LogP1.39
Rot. Bonds1

About 2-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid

2-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 67424422) has the molecular formula C5H2F3NO3 and a molecular weight of 181.07 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid
PubChem CID67424422
Molecular FormulaC5H2F3NO3
Molecular Weight181.07 g/mol
Exact Mass181.00
IUPAC Name2-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(C(F)(F)F)n1
InChIInChI=1S/C5H2F3NO3/c6-5(7,8)4-9-2(1-12-4)3(10)11/h1H,(H,10,11)
InChIKeyMGJCQGMJTNTRSM-UHFFFAOYSA-N
XLogP1.39
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.07
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyclobutylpropan-2-yl)-1,3-oxazole-4-carboxylic acid
CID 131064781
2-(2,2-difluoropropyl)-1,3-oxazole-4-carboxylic acid
CID 130727392
1-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]ethanone
CID 84766773
2-fluoro-5-[2-(trifluoromethyl)-1,3-oxazol-4-yl]benzoic acid
CID 115050945
2-(aminomethyl)-1,3-oxazole-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 154577366
ethane;2-methyl-1,3-oxazole-4-carboxylic acid
CID 144678746
2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxylic acid
CID 115084002
2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
CID 155483929
[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
CID 136558415
[2-(aminomethyl)-1,4-oxazepan-4-yl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
CID 154768989
2-(trifluoromethyl)-1,3-oxazol-4-amine
CID 156595636
2-acetyl-1,3-oxazole-4-carboxylic acid
CID 67168521

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid (CID 67424422) is 2-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(C(F)(F)F)n1.
What is the InChIKey of 2-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is MGJCQGMJTNTRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F3NO3/c6-5(7,8)4-9-2(1-12-4)3(10)11/h1H,(H,10,11).
What are the key properties of 2-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid?
2-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 181.07 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 67424422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).