1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-one

C11H9FN2O2 — CID 115079227

IUPAC1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-one
SMILESCC(=O)Cc1noc(-c2cccc(F)c2)n1
InChIInChI=1S/C11H9FN2O2/c1-7(15)5-10-13-11(16-14-10)8-3-2-4-9(12)6-8/h2-4,6H,5H2,1H3
InChIKeyXYJCAXQCVNOHBS-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.01
Rot. Bonds3

About 1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-one

1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-one (PubChem CID 115079227) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-one
PubChem CID115079227
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-one
SMILESCC(=O)Cc1noc(-c2cccc(F)c2)n1
InChIInChI=1S/C11H9FN2O2/c1-7(15)5-10-13-11(16-14-10)8-3-2-4-9(12)6-8/h2-4,6H,5H2,1H3
InChIKeyXYJCAXQCVNOHBS-UHFFFAOYSA-N
XLogP2.01
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 115079254
3-(diethoxyphosphorylmethyl)-5-(3-fluorophenyl)-1,2,4-oxadiazole
CID 86661559
5-(3-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 42692369
2-amino-N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpentanamide
CID 167782328
N-methyl-3-[3-[2-(methylamino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]benzamide
CID 71852002
2-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]acetic acid
CID 3492218
3-[(4-fluoro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole
CID 42692377
dimethyl 5-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfamoyl]benzene-1,3-dicarboxylate
CID 99802904
2-ethyl-3-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one
CID 53060260
N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 92895825
1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 115078766
2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl acetate
CID 151970918

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-one?
The IUPAC name of 1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-one (CID 115079227) is 1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-one.
What is the SMILES notation for 1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-one?
The canonical SMILES for 1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-one is CC(=O)Cc1noc(-c2cccc(F)c2)n1.
What is the InChIKey of 1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-one?
The InChIKey is XYJCAXQCVNOHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-7(15)5-10-13-11(16-14-10)8-3-2-4-9(12)6-8/h2-4,6H,5H2,1H3.
What are the key properties of 1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-one?
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-one has a molecular weight of 220.20 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-one is sourced from PubChem (CID 115079227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).