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

C11H5F4NO3 — CID 131954829

IUPAC3-(2-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2F)noc1C(F)(F)F
InChIInChI=1S/C11H5F4NO3/c12-6-4-2-1-3-5(6)8-7(10(17)18)9(19-16-8)11(13,14)15/h1-4H,(H,17,18)
InChIKeyXVXLSQRAPFDYIH-UHFFFAOYSA-N
MW275.16 g/mol
LogP3.20
Rot. Bonds2

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

3-(2-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 131954829) has the molecular formula C11H5F4NO3 and a molecular weight of 275.16 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
PubChem CID131954829
Molecular FormulaC11H5F4NO3
Molecular Weight275.16 g/mol
Exact Mass275.02
IUPAC Name3-(2-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2F)noc1C(F)(F)F
InChIInChI=1S/C11H5F4NO3/c12-6-4-2-1-3-5(6)8-7(10(17)18)9(19-16-8)11(13,14)15/h1-4H,(H,17,18)
InChIKeyXVXLSQRAPFDYIH-UHFFFAOYSA-N
XLogP3.20
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone
CID 67420541
5-[1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-(2-fluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 123415620
3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
CID 2775645
2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118830649
2,6-bis(2-fluorophenyl)pyridine-4-carboxylic acid
CID 46313699
5-(2-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 53418234
6-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 29091420
[5-amino-3-(2-fluorophenyl)-1,2-oxazol-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 70981942
3,5-difluoro-4-(2-fluorophenyl)benzoic acid
CID 170919050
2,6-difluoro-4-(2-fluorophenyl)benzoic acid
CID 46312128
3-(5-chloro-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 114866743
1-[3-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]ethanone
CID 67362402

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(2-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid (CID 131954829) is 3-(2-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(2-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid is O=C(O)c1c(-c2ccccc2F)noc1C(F)(F)F.
What is the InChIKey of 3-(2-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is XVXLSQRAPFDYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F4NO3/c12-6-4-2-1-3-5(6)8-7(10(17)18)9(19-16-8)11(13,14)15/h1-4H,(H,17,18).
What are the key properties of 3-(2-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid?
3-(2-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 275.16 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 131954829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).