5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxylic acid

C10H5F3N2O3 — CID 66928954

IUPAC5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C10H5F3N2O3/c11-10(12,13)6-3-1-2-5(15-6)8-7(9(16)17)14-4-18-8/h1-4H,(H,16,17)
InChIKeyLLVLHDRJYIJKCW-UHFFFAOYSA-N
MW258.15 g/mol
LogP2.45
Rot. Bonds2

About 5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxylic acid

5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 66928954) has the molecular formula C10H5F3N2O3 and a molecular weight of 258.15 g/mol. Its IUPAC name is 5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxylic acid
PubChem CID66928954
Molecular FormulaC10H5F3N2O3
Molecular Weight258.15 g/mol
Exact Mass258.03
IUPAC Name5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C10H5F3N2O3/c11-10(12,13)6-3-1-2-5(15-6)8-7(9(16)17)14-4-18-8/h1-4H,(H,16,17)
InChIKeyLLVLHDRJYIJKCW-UHFFFAOYSA-N
XLogP2.45
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Pyridin-4-yl-1,3-oxazole-4-carboxylic acid
CID 14274456
5-(Pyridin-2-yl)-1,3-oxazole-4-carboxylic acid
CID 66929406
6-(1,3-Oxazol-5-yl)pyridine-2-carboxylicacid
CID 84662405
2-(5-Fluoropyridin-2-yl)-1,3-oxazole-4-carboxylic acid
CID 165880063
Ethyl 5-pyridin-4-yl-1,3-oxazole-4-carboxylate
CID 15123600
CID 66928953
CID 66928953
5-(6-Trifluoromethyl-pyridin-2-yl)-oxazole-4-carboxylic acid lithium salt
CID 66928955
5-(2-Fluoro-pyridin-4-yl)-oxazole-4-carboxylic acid
CID 66929177
5-(3-(Dimethylamino)-4-fluorophenyl)oxazole-4-carboxylic acid
CID 67127742
Methyl 5-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]pyridine-2-carboxylate
CID 148375610
5-[6-(Difluoromethoxy)pyridin-2-yl]-1,3-oxazole
CID 154660021
2-[2-(Trifluoromethyl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
CID 155483929

Frequently Asked Questions

What is the IUPAC name of 5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxylic acid (CID 66928954) is 5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxylic acid is O=C(O)c1ncoc1-c1cccc(C(F)(F)F)n1.
What is the InChIKey of 5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is LLVLHDRJYIJKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2O3/c11-10(12,13)6-3-1-2-5(15-6)8-7(9(16)17)14-4-18-8/h1-4H,(H,16,17).
What are the key properties of 5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxylic acid?
5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 258.15 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 66928954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).