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

C13H13ClN2O2 — CID 58335940

IUPAC5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
SMILESCC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C13H13ClN2O2/c1-9(17)3-2-4-12-15-13(16-18-12)10-5-7-11(14)8-6-10/h5-8H,2-4H2,1H3
InChIKeyDOSMOYNKUHQXOI-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.30
Rot. Bonds5

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

5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one (PubChem CID 58335940) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one.

Molecular Properties

Compound Name5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
PubChem CID58335940
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
SMILESCC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C13H13ClN2O2/c1-9(17)3-2-4-12-15-13(16-18-12)10-5-7-11(14)8-6-10/h5-8H,2-4H2,1H3
InChIKeyDOSMOYNKUHQXOI-UHFFFAOYSA-N
XLogP3.30
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperazin-1-ylbutan-1-one
CID 119400800
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191177
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxypropyl)butanamide
CID 78866247
7-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide
CID 46190755
sodium 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 162665177
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101498
methyl (2S)-2-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]propanoate
CID 87040359
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 119560523
3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole
CID 24848734
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(3,3,3-trifluoropropyl)butanamide
CID 86833646
1-(4-aminopiperidin-1-yl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-one
CID 119373593
N-[(2S)-1-aminopropan-2-yl]-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride
CID 120507694

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one?
The IUPAC name of 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one (CID 58335940) is 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one.
What is the SMILES notation for 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one?
The canonical SMILES for 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one is CC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one?
The InChIKey is DOSMOYNKUHQXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-9(17)3-2-4-12-15-13(16-18-12)10-5-7-11(14)8-6-10/h5-8H,2-4H2,1H3.
What are the key properties of 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one?
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one has a molecular weight of 264.71 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one is sourced from PubChem (CID 58335940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).