5-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid

C12H8F3NO4 — CID 61397637

IUPAC5-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COc2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C12H8F3NO4/c13-12(14,15)7-1-3-8(4-2-7)19-6-9-5-10(11(17)18)16-20-9/h1-5H,6H2,(H,17,18)
InChIKeyUGFSGDRIZCHMCE-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.97
Rot. Bonds4

About 5-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid

5-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 61397637) has the molecular formula C12H8F3NO4 and a molecular weight of 287.19 g/mol. Its IUPAC name is 5-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID61397637
Molecular FormulaC12H8F3NO4
Molecular Weight287.19 g/mol
Exact Mass287.04
IUPAC Name5-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COc2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C12H8F3NO4/c13-12(14,15)7-1-3-8(4-2-7)19-6-9-5-10(11(17)18)16-20-9/h1-5H,6H2,(H,17,18)
InChIKeyUGFSGDRIZCHMCE-UHFFFAOYSA-N
XLogP2.97
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid (CID 61397637) is 5-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(COc2ccc(C(F)(F)F)cc2)on1.
What is the InChIKey of 5-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is UGFSGDRIZCHMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO4/c13-12(14,15)7-1-3-8(4-2-7)19-6-9-5-10(11(17)18)16-20-9/h1-5H,6H2,(H,17,18).
What are the key properties of 5-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid?
5-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 287.19 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 61397637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).