3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid

C10H7FN2O3 — CID 67086588

IUPAC3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid
SMILESCc1noc(-c2c(F)cccc2C(=O)O)n1
InChIInChI=1S/C10H7FN2O3/c1-5-12-9(16-13-5)8-6(10(14)15)3-2-4-7(8)11/h2-4H,1H3,(H,14,15)
InChIKeyUWURZZHFZYZWTJ-UHFFFAOYSA-N
MW222.18 g/mol
LogP1.88
Rot. Bonds2

About 3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid

3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid (PubChem CID 67086588) has the molecular formula C10H7FN2O3 and a molecular weight of 222.18 g/mol. Its IUPAC name is 3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid
PubChem CID67086588
Molecular FormulaC10H7FN2O3
Molecular Weight222.18 g/mol
Exact Mass222.04
IUPAC Name3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid
SMILESCc1noc(-c2c(F)cccc2C(=O)O)n1
InChIInChI=1S/C10H7FN2O3/c1-5-12-9(16-13-5)8-6(10(14)15)3-2-4-7(8)11/h2-4H,1H3,(H,14,15)
InChIKeyUWURZZHFZYZWTJ-UHFFFAOYSA-N
XLogP1.88
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid?
The IUPAC name of 3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid (CID 67086588) is 3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid.
What is the SMILES notation for 3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid?
The canonical SMILES for 3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid is Cc1noc(-c2c(F)cccc2C(=O)O)n1.
What is the InChIKey of 3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid?
The InChIKey is UWURZZHFZYZWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O3/c1-5-12-9(16-13-5)8-6(10(14)15)3-2-4-7(8)11/h2-4H,1H3,(H,14,15).
What are the key properties of 3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid?
3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid has a molecular weight of 222.18 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid is sourced from PubChem (CID 67086588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).