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

C7H6F3NO3 — CID 83673039

IUPAC4-ethyl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESCCc1nc(C(F)(F)F)oc1C(=O)O
InChIInChI=1S/C7H6F3NO3/c1-2-3-4(5(12)13)14-6(11-3)7(8,9)10/h2H2,1H3,(H,12,13)
InChIKeyUDLZYZHINDSRFI-UHFFFAOYSA-N
MW209.12 g/mol
LogP1.95
Rot. Bonds2

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

4-ethyl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 83673039) has the molecular formula C7H6F3NO3 and a molecular weight of 209.12 g/mol. Its IUPAC name is 4-ethyl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID83673039
Molecular FormulaC7H6F3NO3
Molecular Weight209.12 g/mol
Exact Mass209.03
IUPAC Name4-ethyl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESCCc1nc(C(F)(F)F)oc1C(=O)O
InChIInChI=1S/C7H6F3NO3/c1-2-3-4(5(12)13)14-6(11-3)7(8,9)10/h2H2,1H3,(H,12,13)
InChIKeyUDLZYZHINDSRFI-UHFFFAOYSA-N
XLogP1.95
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.12
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (CID 83673039) is 4-ethyl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is CCc1nc(C(F)(F)F)oc1C(=O)O.
What is the InChIKey of 4-ethyl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is UDLZYZHINDSRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO3/c1-2-3-4(5(12)13)14-6(11-3)7(8,9)10/h2H2,1H3,(H,12,13).
What are the key properties of 4-ethyl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
4-ethyl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 209.12 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 83673039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).