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

C9H5FN2O3 — CID 53418234

IUPAC5-(2-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1noc(-c2ccccc2F)n1
InChIInChI=1S/C9H5FN2O3/c10-6-4-2-1-3-5(6)8-11-7(9(13)14)12-15-8/h1-4H,(H,13,14)
InChIKeyZIZDDGDNLWJZPK-UHFFFAOYSA-N
MW208.15 g/mol
LogP1.57
Rot. Bonds2

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

5-(2-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 53418234) has the molecular formula C9H5FN2O3 and a molecular weight of 208.15 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID53418234
Molecular FormulaC9H5FN2O3
Molecular Weight208.15 g/mol
Exact Mass208.03
IUPAC Name5-(2-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1noc(-c2ccccc2F)n1
InChIInChI=1S/C9H5FN2O3/c10-6-4-2-1-3-5(6)8-11-7(9(13)14)12-15-8/h1-4H,(H,13,14)
InChIKeyZIZDDGDNLWJZPK-UHFFFAOYSA-N
XLogP1.57
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-amino-3-chlorophenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 107051145
5-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-hydroxybenzoic acid
CID 135924068
5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382903
5-(2-bromo-3-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 107983761
2,3,4,6-tetradeuterio-5-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 121320596
1-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660763
5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63383042
1-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethanone
CID 137002833
sodium;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid;3-(5-phenyl-1,2,4-oxadiazol-3-yl)benzoate
CID 162252966
2-amino-2-(hydroxymethyl)propane-1,3-diol;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 91884623
[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamic acid
CID 91226224
sodium 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate
CID 23705996

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-(2-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid (CID 53418234) is 5-(2-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-(2-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid is O=C(O)c1noc(-c2ccccc2F)n1.
What is the InChIKey of 5-(2-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is ZIZDDGDNLWJZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN2O3/c10-6-4-2-1-3-5(6)8-11-7(9(13)14)12-15-8/h1-4H,(H,13,14).
What are the key properties of 5-(2-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid?
5-(2-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 208.15 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 53418234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).