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

C9H10F3NO5 — CID 103212093

IUPAC5-ethoxy-2-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole-4-carboxylic acid
SMILESCCOc1oc(COCC(F)(F)F)nc1C(=O)O
InChIInChI=1S/C9H10F3NO5/c1-2-17-8-6(7(14)15)13-5(18-8)3-16-4-9(10,11)12/h2-4H2,1H3,(H,14,15)
InChIKeyVIADBIQPSVAPIV-UHFFFAOYSA-N
MW269.17 g/mol
LogP1.85
Rot. Bonds6

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

5-ethoxy-2-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 103212093) has the molecular formula C9H10F3NO5 and a molecular weight of 269.17 g/mol. Its IUPAC name is 5-ethoxy-2-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-ethoxy-2-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole-4-carboxylic acid
PubChem CID103212093
Molecular FormulaC9H10F3NO5
Molecular Weight269.17 g/mol
Exact Mass269.05
IUPAC Name5-ethoxy-2-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole-4-carboxylic acid
SMILESCCOc1oc(COCC(F)(F)F)nc1C(=O)O
InChIInChI=1S/C9H10F3NO5/c1-2-17-8-6(7(14)15)13-5(18-8)3-16-4-9(10,11)12/h2-4H2,1H3,(H,14,15)
InChIKeyVIADBIQPSVAPIV-UHFFFAOYSA-N
XLogP1.85
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-ethoxy-2-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole-4-carboxylic acid (CID 103212093) is 5-ethoxy-2-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-ethoxy-2-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-ethoxy-2-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole-4-carboxylic acid is CCOc1oc(COCC(F)(F)F)nc1C(=O)O.
What is the InChIKey of 5-ethoxy-2-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is VIADBIQPSVAPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO5/c1-2-17-8-6(7(14)15)13-5(18-8)3-16-4-9(10,11)12/h2-4H2,1H3,(H,14,15).
What are the key properties of 5-ethoxy-2-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole-4-carboxylic acid?
5-ethoxy-2-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 269.17 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 103212093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).