5-ethyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

C12H22N4O3S — CID 60570659

IUPAC5-ethyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCCS(=O)(=O)N1CCN(Cc2noc(CC)n2)CC1
InChIInChI=1S/C12H22N4O3S/c1-3-9-20(17,18)16-7-5-15(6-8-16)10-11-13-12(4-2)19-14-11/h3-10H2,1-2H3
InChIKeySOTYVOGVINSJLB-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.49
Rot. Bonds6

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

5-ethyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 60570659) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 5-ethyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID60570659
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name5-ethyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCCS(=O)(=O)N1CCN(Cc2noc(CC)n2)CC1
InChIInChI=1S/C12H22N4O3S/c1-3-9-20(17,18)16-7-5-15(6-8-16)10-11-13-12(4-2)19-14-11/h3-10H2,1-2H3
InChIKeySOTYVOGVINSJLB-UHFFFAOYSA-N
XLogP0.49
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylpiperidin-1-yl)-3-[3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-one
CID 46278417
3-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole
CID 60570904
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 63101300
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 62655744
2-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119882433
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(methylamino)ethanone
CID 120704414
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 42879831
8-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 78969841
3-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119882488
5-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 141119383
3-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]butan-1-one
CID 119882479
2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one
CID 71983402

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (CID 60570659) is 5-ethyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is CCCS(=O)(=O)N1CCN(Cc2noc(CC)n2)CC1.
What is the InChIKey of 5-ethyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is SOTYVOGVINSJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-3-9-20(17,18)16-7-5-15(6-8-16)10-11-13-12(4-2)19-14-11/h3-10H2,1-2H3.
What are the key properties of 5-ethyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
5-ethyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 302.40 g/mol, XLogP of 0.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 60570659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).