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

C17H24N4O4S — CID 32873847

IUPAC5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCOc1ccc(S(=O)(=O)N2CCN(Cc3nc(CC)no3)CC2)cc1
InChIInChI=1S/C17H24N4O4S/c1-3-16-18-17(25-19-16)13-20-9-11-21(12-10-20)26(22,23)15-7-5-14(6-8-15)24-4-2/h5-8H,3-4,9-13H2,1-2H3
InChIKeyJLYUQYKGGSMTCG-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.54
Rot. Bonds7

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

5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole (PubChem CID 32873847) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is 5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole
PubChem CID32873847
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC Name5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCOc1ccc(S(=O)(=O)N2CCN(Cc3nc(CC)no3)CC2)cc1
InChIInChI=1S/C17H24N4O4S/c1-3-16-18-17(25-19-16)13-20-9-11-21(12-10-20)26(22,23)15-7-5-14(6-8-15)24-4-2/h5-8H,3-4,9-13H2,1-2H3
InChIKeyJLYUQYKGGSMTCG-UHFFFAOYSA-N
XLogP1.54
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 38253871
5-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-ethoxyphenyl)-1,2,4-oxadiazole
CID 43056133
1-(1,3-benzodioxol-5-ylmethyl)-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 1085687
3-(2-methylpropyl)-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 18231474
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017
3-(4-methoxyphenyl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 24627197
5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 24585756
3-(2-ethoxyphenyl)-5-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 16593438
1-[(3-chlorophenyl)methyl]-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 8746856
4-tert-butyl-2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 30463429
5-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 18167609
5-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 30669379

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole (CID 32873847) is 5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole is CCOc1ccc(S(=O)(=O)N2CCN(Cc3nc(CC)no3)CC2)cc1.
What is the InChIKey of 5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole?
The InChIKey is JLYUQYKGGSMTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-3-16-18-17(25-19-16)13-20-9-11-21(12-10-20)26(22,23)15-7-5-14(6-8-15)24-4-2/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of 5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole?
5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole has a molecular weight of 380.47 g/mol, XLogP of 1.54, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 32873847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).