5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole-4-carboxylic acid

C7H6F3NO4 — CID 103211940

IUPAC5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1COCC(F)(F)F
InChIInChI=1S/C7H6F3NO4/c8-7(9,10)2-14-1-4-5(6(12)13)11-3-15-4/h3H,1-2H2,(H,12,13)
InChIKeyOUUMBGSHRJJRBV-UHFFFAOYSA-N
MW225.12 g/mol
LogP1.45
Rot. Bonds4

About 5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole-4-carboxylic acid

5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 103211940) has the molecular formula C7H6F3NO4 and a molecular weight of 225.12 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole-4-carboxylic acid
PubChem CID103211940
Molecular FormulaC7H6F3NO4
Molecular Weight225.12 g/mol
Exact Mass225.02
IUPAC Name5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1COCC(F)(F)F
InChIInChI=1S/C7H6F3NO4/c8-7(9,10)2-14-1-4-5(6(12)13)11-3-15-4/h3H,1-2H2,(H,12,13)
InChIKeyOUUMBGSHRJJRBV-UHFFFAOYSA-N
XLogP1.45
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole-4-carboxylic acid (CID 103211940) is 5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole-4-carboxylic acid is O=C(O)c1ncoc1COCC(F)(F)F.
What is the InChIKey of 5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is OUUMBGSHRJJRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO4/c8-7(9,10)2-14-1-4-5(6(12)13)11-3-15-4/h3H,1-2H2,(H,12,13).
What are the key properties of 5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole-4-carboxylic acid?
5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 225.12 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 103211940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).