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

C11H6F3NO3 — CID 2739753

IUPAC5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H6F3NO3/c12-11(13,14)7-3-1-2-6(4-7)9-8(10(16)17)15-5-18-9/h1-5H,(H,16,17)
InChIKeyCGOSBKOCNUXOHB-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.06
Rot. Bonds2

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

5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 2739753) has the molecular formula C11H6F3NO3 and a molecular weight of 257.17 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylic acid
PubChem CID2739753
Molecular FormulaC11H6F3NO3
Molecular Weight257.17 g/mol
Exact Mass257.03
IUPAC Name5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H6F3NO3/c12-11(13,14)7-3-1-2-6(4-7)9-8(10(16)17)15-5-18-9/h1-5H,(H,16,17)
InChIKeyCGOSBKOCNUXOHB-UHFFFAOYSA-N
XLogP3.06
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylic acid (CID 2739753) is 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylic acid is O=C(O)c1ncoc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is CGOSBKOCNUXOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO3/c12-11(13,14)7-3-1-2-6(4-7)9-8(10(16)17)15-5-18-9/h1-5H,(H,16,17).
What are the key properties of 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylic acid?
5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 257.17 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 2739753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).