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

C11H9ClN2O2 — CID 63346434

IUPAC1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one
SMILESCC(=O)Cc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C11H9ClN2O2/c1-7(15)5-10-13-11(14-16-10)8-3-2-4-9(12)6-8/h2-4,6H,5H2,1H3
InChIKeyJGUCDLWGSVEVBF-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.52
Rot. Bonds3

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

1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one (PubChem CID 63346434) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one.

Molecular Properties

Compound Name1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one
PubChem CID63346434
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one
SMILESCC(=O)Cc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C11H9ClN2O2/c1-7(15)5-10-13-11(14-16-10)8-3-2-4-9(12)6-8/h2-4,6H,5H2,1H3
InChIKeyJGUCDLWGSVEVBF-UHFFFAOYSA-N
XLogP2.52
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]propanoic acid
CID 83194547
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropanehydrazide
CID 67071022
2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-methylpropanoic acid
CID 65263615
[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-hydroxybenzoate
CID 9412685
(2R)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide
CID 119326200
1-amino-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 66002577
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-3-(methylamino)propanamide
CID 119787997
1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 107504595
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-methylpyridine-3-carboxamide
CID 71931147
3-(3-chlorophenyl)-5-[(dimethylsulfamoylamino)methyl]-1,2,4-oxadiazole
CID 110293621
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(dimethylsulfamoyl)-N-methylmethanamine
CID 126819172
trans-(1R,2R)-2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131397

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The IUPAC name of 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one (CID 63346434) is 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one.
What is the SMILES notation for 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The canonical SMILES for 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one is CC(=O)Cc1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The InChIKey is JGUCDLWGSVEVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-7(15)5-10-13-11(14-16-10)8-3-2-4-9(12)6-8/h2-4,6H,5H2,1H3.
What are the key properties of 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one?
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one has a molecular weight of 236.66 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one is sourced from PubChem (CID 63346434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).