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

C12H11ClN4O2 — CID 107435991

IUPAC5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
SMILESO=C1CNC(c2nc(-c3cccc(Cl)c3)no2)CN1
InChIInChI=1S/C12H11ClN4O2/c13-8-3-1-2-7(4-8)11-16-12(19-17-11)9-5-15-10(18)6-14-9/h1-4,9,14H,5-6H2,(H,15,18)
InChIKeyGWAKQDKNWGYYNN-UHFFFAOYSA-N
MW278.70 g/mol
LogP1.15
Rot. Bonds2

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

5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one (PubChem CID 107435991) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one.

Molecular Properties

Compound Name5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
PubChem CID107435991
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC Name5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
SMILESO=C1CNC(c2nc(-c3cccc(Cl)c3)no2)CN1
InChIInChI=1S/C12H11ClN4O2/c13-8-3-1-2-7(4-8)11-16-12(19-17-11)9-5-15-10(18)6-14-9/h1-4,9,14H,5-6H2,(H,15,18)
InChIKeyGWAKQDKNWGYYNN-UHFFFAOYSA-N
XLogP1.15
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436231
3-(3-chlorophenyl)-5-(4,4-difluoropyrrolidin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120835832
5-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436114
5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one
CID 107436572
5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one
CID 107436533
(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120835896
3-(3-chlorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 69411242
3-(3-chlorophenyl)-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,2,4-oxadiazole
CID 6946164
4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83201685
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121095143
(3R,5R)-5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 107917770
5-[5-(3-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 75975201

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The IUPAC name of 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one (CID 107435991) is 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one.
What is the SMILES notation for 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The canonical SMILES for 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one is O=C1CNC(c2nc(-c3cccc(Cl)c3)no2)CN1.
What is the InChIKey of 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The InChIKey is GWAKQDKNWGYYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c13-8-3-1-2-7(4-8)11-16-12(19-17-11)9-5-15-10(18)6-14-9/h1-4,9,14H,5-6H2,(H,15,18).
What are the key properties of 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one has a molecular weight of 278.70 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one is sourced from PubChem (CID 107435991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).