2-ethyl-5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazole

C9H16N4O3S — CID 72927859

IUPAC2-ethyl-5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazole
SMILESCCc1nnc(N2CCN(S(C)(=O)=O)CC2)o1
InChIInChI=1S/C9H16N4O3S/c1-3-8-10-11-9(16-8)12-4-6-13(7-5-12)17(2,14)15/h3-7H2,1-2H3
InChIKeySGRULOCKWDPYPI-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.29
Rot. Bonds3

About 2-ethyl-5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazole

2-ethyl-5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazole (PubChem CID 72927859) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-ethyl-5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazole
PubChem CID72927859
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name2-ethyl-5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazole
SMILESCCc1nnc(N2CCN(S(C)(=O)=O)CC2)o1
InChIInChI=1S/C9H16N4O3S/c1-3-8-10-11-9(16-8)12-4-6-13(7-5-12)17(2,14)15/h3-7H2,1-2H3
InChIKeySGRULOCKWDPYPI-UHFFFAOYSA-N
XLogP-0.29
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(5-Ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110603079
2-(4-Methylpiperazin-1-yl)-5-propan-2-yl-1,3,4-oxadiazole
CID 145588875
2-Ethyl-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole
CID 145588945
1-Methyl-4-{[4-(5-propyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]sulfonyl}piperazine
CID 72870938
4-(5-Ethyl-1,3,4-oxadiazol-2-YL)-N,N-dimethylpiperazine-1-carboxamide
CID 72883330
2-(Chloromethyl)-5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazole
CID 106957650
2-(2-Chloroethyl)-5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazole
CID 106957651
N-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 106960971
2-[5-(4-Methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106960972
N-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106960975
N-[1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 106960976
N-ethyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106960980

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazole (CID 72927859) is 2-ethyl-5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazole is CCc1nnc(N2CCN(S(C)(=O)=O)CC2)o1.
What is the InChIKey of 2-ethyl-5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazole?
The InChIKey is SGRULOCKWDPYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-3-8-10-11-9(16-8)12-4-6-13(7-5-12)17(2,14)15/h3-7H2,1-2H3.
What are the key properties of 2-ethyl-5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazole?
2-ethyl-5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazole has a molecular weight of 260.32 g/mol, XLogP of -0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 72927859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).