1-[2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethanone

C11H9FN2O2 — CID 118361930

IUPAC1-[2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1-c1nc(C)no1
InChIInChI=1S/C11H9FN2O2/c1-6(15)10-8(4-3-5-9(10)12)11-13-7(2)14-16-11/h3-5H,1-2H3
InChIKeyOXFFLTSDYHHTDX-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.39
Rot. Bonds2

About 1-[2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethanone

1-[2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethanone (PubChem CID 118361930) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 1-[2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethanone
PubChem CID118361930
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name1-[2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1-c1nc(C)no1
InChIInChI=1S/C11H9FN2O2/c1-6(15)10-8(4-3-5-9(10)12)11-13-7(2)14-16-11/h3-5H,1-2H3
InChIKeyOXFFLTSDYHHTDX-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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Related Compounds

3,5-Diphenyl-1,2,4-oxadiazole
CID 136695
3-Methyl-5-phenyl-1,2,4-oxadiazole
CID 136937
4-[5-(4-Fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747214
5-(4-Methylphenyl)-3-phenyl-1,2,4-oxadiazole
CID 577305
[2-(3-Phenyl-1,2,4-oxadiazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 665477
3-Cyclohexyl-5-phenyl-1,2,4-oxadiazole
CID 876263
3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole
CID 302154
N-ethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 3737087
5-(1-Naphthyl)-3-phenyl-1,2,4-oxadiazole
CID 659576
2-(3-Phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 666146
5-(2-Fluorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 2876651
3-Benzyl-5-phenyl-1,2,4-oxadiazole
CID 4215501

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethanone (CID 118361930) is 1-[2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethanone is CC(=O)c1c(F)cccc1-c1nc(C)no1.
What is the InChIKey of 1-[2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethanone?
The InChIKey is OXFFLTSDYHHTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-6(15)10-8(4-3-5-9(10)12)11-13-7(2)14-16-11/h3-5H,1-2H3.
What are the key properties of 1-[2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethanone?
1-[2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]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-[2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethanone is sourced from PubChem (CID 118361930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).