ethyl 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole-3-carboxylate

C16H20N4O6S — CID 126664164

IUPACethyl 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)n1
InChIInChI=1S/C16H20N4O6S/c1-3-25-15(21)14-17-16(26-18-14)19-8-10-20(11-9-19)27(22,23)13-6-4-12(24-2)5-7-13/h4-7H,3,8-11H2,1-2H3
InChIKeyCLMXQOMKRILEQL-UHFFFAOYSA-N
MW396.43 g/mol
LogP0.77
Rot. Bonds6

About ethyl 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole-3-carboxylate

ethyl 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole-3-carboxylate (PubChem CID 126664164) has the molecular formula C16H20N4O6S and a molecular weight of 396.43 g/mol. Its IUPAC name is ethyl 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole-3-carboxylate
PubChem CID126664164
Molecular FormulaC16H20N4O6S
Molecular Weight396.43 g/mol
Exact Mass396.11
IUPAC Nameethyl 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)n1
InChIInChI=1S/C16H20N4O6S/c1-3-25-15(21)14-17-16(26-18-14)19-8-10-20(11-9-19)27(22,23)13-6-4-12(24-2)5-7-13/h4-7H,3,8-11H2,1-2H3
InChIKeyCLMXQOMKRILEQL-UHFFFAOYSA-N
XLogP0.77
TPSA115.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole-3-carboxylate with MolForge

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Related Compounds

[5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazol-3-yl]methanol
CID 118384872
3-(chloromethyl)-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
CID 118385233
3-tert-butyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
CID 118385016
3-cyclohexyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
CID 118384865
ethyl 2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenoxy]acetate
CID 3153448
1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684101
1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1306330
3-[1-(4-chlorophenyl)cyclopropyl]-5-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
CID 118384897
1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl chloride
CID 42281716
1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311
1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
ethyl 4-[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate
CID 1075480

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of ethyl 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole-3-carboxylate (CID 126664164) is ethyl 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for ethyl 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole-3-carboxylate is CCOC(=O)c1noc(N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)n1.
What is the InChIKey of ethyl 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is CLMXQOMKRILEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O6S/c1-3-25-15(21)14-17-16(26-18-14)19-8-10-20(11-9-19)27(22,23)13-6-4-12(24-2)5-7-13/h4-7H,3,8-11H2,1-2H3.
What are the key properties of ethyl 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole-3-carboxylate?
ethyl 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 396.43 g/mol, XLogP of 0.77, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 126664164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).