5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid

C9H4BrFN2O3 — CID 63382903

IUPAC5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1noc(-c2cc(F)ccc2Br)n1
InChIInChI=1S/C9H4BrFN2O3/c10-6-2-1-4(11)3-5(6)8-12-7(9(14)15)13-16-8/h1-3H,(H,14,15)
InChIKeyWFEYSQXFLCIODU-UHFFFAOYSA-N
MW287.04 g/mol
LogP2.34
Rot. Bonds2

About 5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid

5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 63382903) has the molecular formula C9H4BrFN2O3 and a molecular weight of 287.04 g/mol. Its IUPAC name is 5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID63382903
Molecular FormulaC9H4BrFN2O3
Molecular Weight287.04 g/mol
Exact Mass285.94
IUPAC Name5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1noc(-c2cc(F)ccc2Br)n1
InChIInChI=1S/C9H4BrFN2O3/c10-6-2-1-4(11)3-5(6)8-12-7(9(14)15)13-16-8/h1-3H,(H,14,15)
InChIKeyWFEYSQXFLCIODU-UHFFFAOYSA-N
XLogP2.34
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.04
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-bromo-5-fluorophenyl)-3-chloro-1,2,4-oxadiazole
CID 112571851
5-(2-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 53418234
5-(2-bromo-3-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 107983761
5-(3-bromo-4-iodophenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 165484636
2-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline
CID 107923647
5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63383042
5-(4-bromo-2-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 115370000
5-(2-bromo-5-fluorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62946120
ethyl 5-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazole-3-carboxylate
CID 63379181
ethyl 5-(2-bromo-5-methylphenyl)-1,2,4-oxadiazole-3-carboxylate
CID 81117011
5-(5-chlorofuran-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 106689515
2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid
CID 107923864

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid (CID 63382903) is 5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid is O=C(O)c1noc(-c2cc(F)ccc2Br)n1.
What is the InChIKey of 5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is WFEYSQXFLCIODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrFN2O3/c10-6-2-1-4(11)3-5(6)8-12-7(9(14)15)13-16-8/h1-3H,(H,14,15).
What are the key properties of 5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid?
5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 287.04 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 63382903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).