5-[3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

C22H25ClN4O3S — CID 55663484

IUPAC5-[3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CCCN3CCN(S(=O)(=O)c4ccccc4Cl)CC3)n2)cc1
InChIInChI=1S/C22H25ClN4O3S/c1-17-8-10-18(11-9-17)22-24-21(30-25-22)7-4-12-26-13-15-27(16-14-26)31(28,29)20-6-3-2-5-19(20)23/h2-3,5-6,8-11H,4,7,12-16H2,1H3
InChIKeyQFRGFYRZWMMJNX-UHFFFAOYSA-N
MW460.99 g/mol
LogP3.64
Rot. Bonds7

About 5-[3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

5-[3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propyl]-3-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 55663484) has the molecular formula C22H25ClN4O3S and a molecular weight of 460.99 g/mol. Its IUPAC name is 5-[3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propyl]-3-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID55663484
Molecular FormulaC22H25ClN4O3S
Molecular Weight460.99 g/mol
Exact Mass460.13
IUPAC Name5-[3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CCCN3CCN(S(=O)(=O)c4ccccc4Cl)CC3)n2)cc1
InChIInChI=1S/C22H25ClN4O3S/c1-17-8-10-18(11-9-17)22-24-21(30-25-22)7-4-12-26-13-15-27(16-14-26)31(28,29)20-6-3-2-5-19(20)23/h2-3,5-6,8-11H,4,7,12-16H2,1H3
InChIKeyQFRGFYRZWMMJNX-UHFFFAOYSA-N
XLogP3.64
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.99
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]sulfonylpentanenitrile
CID 56586934
5-[3-(4,7-diethyl-1,4,7-triazonan-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole
CID 166258341
5-[[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 16608383
1-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]butan-1-one
CID 55621672
1-(2-chlorophenyl)sulfonyl-4-pentylpiperazine
CID 45369123
3-methyl-1-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]butan-1-one
CID 55652242
2-(methylamino)-1-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]ethanone
CID 120703681
5-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 3226125
5-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-ethoxyphenyl)-1,2,4-oxadiazole
CID 43056133
1-(4-methylphenyl)-4-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]butane-1,4-dione
CID 55647099
3-(4-methylphenyl)-5-[3-(4-quinazolin-4-ylpiperazin-1-yl)propyl]-1,2,4-oxadiazole
CID 36785792
4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propyl]morpholine
CID 154393200

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propyl]-3-(4-methylphenyl)-1,2,4-oxadiazole (CID 55663484) is 5-[3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propyl]-3-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propyl]-3-(4-methylphenyl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(CCCN3CCN(S(=O)(=O)c4ccccc4Cl)CC3)n2)cc1.
What is the InChIKey of 5-[3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is QFRGFYRZWMMJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3S/c1-17-8-10-18(11-9-17)22-24-21(30-25-22)7-4-12-26-13-15-27(16-14-26)31(28,29)20-6-3-2-5-19(20)23/h2-3,5-6,8-11H,4,7,12-16H2,1H3.
What are the key properties of 5-[3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
5-[3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propyl]-3-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 460.99 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propyl]-3-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 55663484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).