5-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid

C11H6F3NO4 — CID 26985162

IUPAC5-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H6F3NO4/c12-11(13,14)19-7-3-1-6(2-4-7)9-8(10(16)17)15-5-18-9/h1-5H,(H,16,17)
InChIKeyGPSOZADUSXOMSV-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.94
Rot. Bonds3

About 5-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid

5-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 26985162) has the molecular formula C11H6F3NO4 and a molecular weight of 273.17 g/mol. Its IUPAC name is 5-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid
PubChem CID26985162
Molecular FormulaC11H6F3NO4
Molecular Weight273.17 g/mol
Exact Mass273.02
IUPAC Name5-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H6F3NO4/c12-11(13,14)19-7-3-1-6(2-4-7)9-8(10(16)17)15-5-18-9/h1-5H,(H,16,17)
InChIKeyGPSOZADUSXOMSV-UHFFFAOYSA-N
XLogP2.94
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid (CID 26985162) is 5-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid is O=C(O)c1ncoc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is GPSOZADUSXOMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO4/c12-11(13,14)19-7-3-1-6(2-4-7)9-8(10(16)17)15-5-18-9/h1-5H,(H,16,17).
What are the key properties of 5-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid?
5-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 273.17 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 26985162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).