2-methyl-5-[2-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole

C17H24N4O3S — CID 110395825

IUPAC2-methyl-5-[2-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
SMILESCc1cccc(CS(=O)(=O)N2CCN(CCc3nnc(C)o3)CC2)c1
InChIInChI=1S/C17H24N4O3S/c1-14-4-3-5-16(12-14)13-25(22,23)21-10-8-20(9-11-21)7-6-17-19-18-15(2)24-17/h3-5,12H,6-11,13H2,1-2H3
InChIKeyZCTVTZLNPJLABW-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.38
Rot. Bonds6

About 2-methyl-5-[2-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole

2-methyl-5-[2-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole (PubChem CID 110395825) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-methyl-5-[2-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[2-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
PubChem CID110395825
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name2-methyl-5-[2-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
SMILESCc1cccc(CS(=O)(=O)N2CCN(CCc3nnc(C)o3)CC2)c1
InChIInChI=1S/C17H24N4O3S/c1-14-4-3-5-16(12-14)13-25(22,23)21-10-8-20(9-11-21)7-6-17-19-18-15(2)24-17/h3-5,12H,6-11,13H2,1-2H3
InChIKeyZCTVTZLNPJLABW-UHFFFAOYSA-N
XLogP1.38
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-[2-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 110395826
2-[2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 110395827
1-ethylsulfonyl-4-[(3-methylphenyl)methylsulfonyl]piperazine
CID 110819012
2-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 110395798
1-(4-benzylsulfonylpiperazin-1-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone
CID 136523299
3-[2-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]ethyl]-1H-indole
CID 110412528
1-[6-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]pyridazin-3-yl]azepane
CID 122335072
2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 110395814
2-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110658538
3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110396219
5-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110395835
2-[[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571664

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[2-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole (CID 110395825) is 2-methyl-5-[2-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[2-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[2-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole is Cc1cccc(CS(=O)(=O)N2CCN(CCc3nnc(C)o3)CC2)c1.
What is the InChIKey of 2-methyl-5-[2-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
The InChIKey is ZCTVTZLNPJLABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-14-4-3-5-16(12-14)13-25(22,23)21-10-8-20(9-11-21)7-6-17-19-18-15(2)24-17/h3-5,12H,6-11,13H2,1-2H3.
What are the key properties of 2-methyl-5-[2-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
2-methyl-5-[2-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole has a molecular weight of 364.47 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 110395825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).