1-(3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl)ethan-1-one

C10H7ClN2O2 — CID 63346526

IUPAC1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanone
SMILESCC(=O)C1=NC(=NO1)C2=CC=C(C=C2)Cl
InChIInChI=1S/C10H7ClN2O2/c1-6(14)10-12-9(13-15-10)7-2-4-8(11)5-3-7/h2-5H,1H3
InChIKeyZGZUJOZTQAHRIW-UHFFFAOYSA-N
MW222.63 g/mol
LogP2.40
Rot. Bonds2

About 1-(3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl)ethan-1-one

1-(3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl)ethan-1-one (PubChem CID 63346526) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-(3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl)ethan-1-one
PubChem CID63346526
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanone
SMILESCC(=O)C1=NC(=NO1)C2=CC=C(C=C2)Cl
InChIInChI=1S/C10H7ClN2O2/c1-6(14)10-12-9(13-15-10)7-2-4-8(11)5-3-7/h2-5H,1H3
InChIKeyZGZUJOZTQAHRIW-UHFFFAOYSA-N
XLogP2.40
TPSA56.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity242

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl)ethan-1-one?
The IUPAC name of 1-(3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl)ethan-1-one (CID 63346526) is 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanone.
What is the SMILES notation for 1-(3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl)ethan-1-one?
The canonical SMILES for 1-(3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl)ethan-1-one is CC(=O)C1=NC(=NO1)C2=CC=C(C=C2)Cl.
What is the InChIKey of 1-(3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl)ethan-1-one?
The InChIKey is ZGZUJOZTQAHRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c1-6(14)10-12-9(13-15-10)7-2-4-8(11)5-3-7/h2-5H,1H3.
What are the key properties of 1-(3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl)ethan-1-one?
1-(3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl)ethan-1-one has a molecular weight of 222.63 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl)ethan-1-one is sourced from PubChem (CID 63346526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).