5-(3,5-difluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid

C9H4F2N2O3 — CID 171620971

IUPAC5-(3,5-difluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ncc(F)cc2F)on1
InChIInChI=1S/C9H4F2N2O3/c10-4-1-5(11)8(12-3-4)7-2-6(9(14)15)13-16-7/h1-3H,(H,14,15)
InChIKeyUCUQIVCTBJXODW-UHFFFAOYSA-N
MW226.14 g/mol
LogP1.71
Rot. Bonds2

About 5-(3,5-difluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid

5-(3,5-difluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 171620971) has the molecular formula C9H4F2N2O3 and a molecular weight of 226.14 g/mol. Its IUPAC name is 5-(3,5-difluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3,5-difluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid
PubChem CID171620971
Molecular FormulaC9H4F2N2O3
Molecular Weight226.14 g/mol
Exact Mass226.02
IUPAC Name5-(3,5-difluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ncc(F)cc2F)on1
InChIInChI=1S/C9H4F2N2O3/c10-4-1-5(11)8(12-3-4)7-2-6(9(14)15)13-16-7/h1-3H,(H,14,15)
InChIKeyUCUQIVCTBJXODW-UHFFFAOYSA-N
XLogP1.71
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.14
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117350000
5-[4-fluoro-3-(hydroxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117345950
5-(4-bromo-3,5-difluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117488817
5-(2,3-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117349990
5-(3-fluoro-4-pyridinyl)-1,2-oxazole-3-carboxylic acid
CID 131555755
5-(5-bromo-4-fluoro-2-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136966435
5-(3-carboxy-5-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117416540
5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117315177
5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 83810758
5-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117412139
ethyl 5-[3-fluoro-5-(methoxymethyl)-2-pyridinyl]-1,2-oxazole-3-carboxylate
CID 146229751
5-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117390409

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(3,5-difluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid (CID 171620971) is 5-(3,5-difluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(3,5-difluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(3,5-difluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2ncc(F)cc2F)on1.
What is the InChIKey of 5-(3,5-difluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is UCUQIVCTBJXODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F2N2O3/c10-4-1-5(11)8(12-3-4)7-2-6(9(14)15)13-16-7/h1-3H,(H,14,15).
What are the key properties of 5-(3,5-difluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid?
5-(3,5-difluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 226.14 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 171620971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).