1-(4-benzylsulfonylpiperazin-1-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone

C16H20N4O4S — CID 136523299

IUPAC1-(4-benzylsulfonylpiperazin-1-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone
SMILESCc1nnc(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)o1
InChIInChI=1S/C16H20N4O4S/c1-13-17-18-15(24-13)11-16(21)19-7-9-20(10-8-19)25(22,23)12-14-5-3-2-4-6-14/h2-6H,7-12H2,1H3
InChIKeyUCIRFVPLLKBBJF-UHFFFAOYSA-N
MW364.43 g/mol
LogP0.59
Rot. Bonds5

About 1-(4-benzylsulfonylpiperazin-1-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone

1-(4-benzylsulfonylpiperazin-1-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone (PubChem CID 136523299) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 1-(4-benzylsulfonylpiperazin-1-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-benzylsulfonylpiperazin-1-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone
PubChem CID136523299
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name1-(4-benzylsulfonylpiperazin-1-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone
SMILESCc1nnc(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)o1
InChIInChI=1S/C16H20N4O4S/c1-13-17-18-15(24-13)11-16(21)19-7-9-20(10-8-19)25(22,23)12-14-5-3-2-4-6-14/h2-6H,7-12H2,1H3
InChIKeyUCIRFVPLLKBBJF-UHFFFAOYSA-N
XLogP0.59
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-benzylsulfonylpiperazin-1-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-benzylsulfonylpiperazin-1-yl)-2-(3-methylphenyl)ethanone
CID 110818901
1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 110396163
1-(4-benzylsulfonylpiperazin-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone
CID 32648600
2-(4-aminophenyl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone;hydrochloride
CID 119687217
2-methyl-5-[2-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 110395826
2-methyl-5-[2-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 110395825
2-(4-acetylpiperazin-1-yl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone
CID 26552718
1-(4-benzylsulfonylpiperazin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 27757217
[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 110396106
2-[2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 110395827
3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110396219
2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(4-quinolin-4-ylpiperazin-1-yl)ethanone
CID 138035418

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylsulfonylpiperazin-1-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone?
The IUPAC name of 1-(4-benzylsulfonylpiperazin-1-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone (CID 136523299) is 1-(4-benzylsulfonylpiperazin-1-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-benzylsulfonylpiperazin-1-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone?
The canonical SMILES for 1-(4-benzylsulfonylpiperazin-1-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone is Cc1nnc(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)o1.
What is the InChIKey of 1-(4-benzylsulfonylpiperazin-1-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone?
The InChIKey is UCIRFVPLLKBBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-13-17-18-15(24-13)11-16(21)19-7-9-20(10-8-19)25(22,23)12-14-5-3-2-4-6-14/h2-6H,7-12H2,1H3.
What are the key properties of 1-(4-benzylsulfonylpiperazin-1-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone?
1-(4-benzylsulfonylpiperazin-1-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone has a molecular weight of 364.43 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylsulfonylpiperazin-1-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone is sourced from PubChem (CID 136523299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).