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

C10H7FN2O3 — CID 63383042

IUPAC5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESCc1cc(-c2nc(C(=O)O)no2)ccc1F
InChIInChI=1S/C10H7FN2O3/c1-5-4-6(2-3-7(5)11)9-12-8(10(14)15)13-16-9/h2-4H,1H3,(H,14,15)
InChIKeyNRUPVSVDHLSBDJ-UHFFFAOYSA-N
MW222.18 g/mol
LogP1.88
Rot. Bonds2

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

5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 63383042) has the molecular formula C10H7FN2O3 and a molecular weight of 222.18 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID63383042
Molecular FormulaC10H7FN2O3
Molecular Weight222.18 g/mol
Exact Mass222.04
IUPAC Name5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESCc1cc(-c2nc(C(=O)O)no2)ccc1F
InChIInChI=1S/C10H7FN2O3/c1-5-4-6(2-3-7(5)11)9-12-8(10(14)15)13-16-9/h2-4H,1H3,(H,14,15)
InChIKeyNRUPVSVDHLSBDJ-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 5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid (CID 63383042) is 5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid is Cc1cc(-c2nc(C(=O)O)no2)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is NRUPVSVDHLSBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O3/c1-5-4-6(2-3-7(5)11)9-12-8(10(14)15)13-16-9/h2-4H,1H3,(H,14,15).
What are the key properties of 5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid?
5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole-3-carboxylic 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 5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 63383042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).