1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone

C11H9FN2O2 — CID 63344391

IUPAC1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone
SMILESCC(=O)c1nc(-c2cc(F)ccc2C)no1
InChIInChI=1S/C11H9FN2O2/c1-6-3-4-8(12)5-9(6)10-13-11(7(2)15)16-14-10/h3-5H,1-2H3
InChIKeyQLVJSXSCBXQVIL-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.39
Rot. Bonds2

About 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone

1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone (PubChem CID 63344391) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone
PubChem CID63344391
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone
SMILESCC(=O)c1nc(-c2cc(F)ccc2C)no1
InChIInChI=1S/C11H9FN2O2/c1-6-3-4-8(12)5-9(6)10-13-11(7(2)15)16-14-10/h3-5H,1-2H3
InChIKeyQLVJSXSCBXQVIL-UHFFFAOYSA-N
XLogP2.39
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone?
The IUPAC name of 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone (CID 63344391) is 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone.
What is the SMILES notation for 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone?
The canonical SMILES for 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone is CC(=O)c1nc(-c2cc(F)ccc2C)no1.
What is the InChIKey of 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone?
The InChIKey is QLVJSXSCBXQVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-6-3-4-8(12)5-9(6)10-13-11(7(2)15)16-14-10/h3-5H,1-2H3.
What are the key properties of 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone?
1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone has a molecular weight of 220.20 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone is sourced from PubChem (CID 63344391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).