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

C17H24N4O5S — CID 42948004

IUPAC5-[1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(C)c3nc(C)no3)CC2)cc1OC
InChIInChI=1S/C17H24N4O5S/c1-12(17-18-13(2)19-26-17)20-7-9-21(10-8-20)27(22,23)14-5-6-15(24-3)16(11-14)25-4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyXTLGNSZWGSYMMR-UHFFFAOYSA-N
MW396.47 g/mol
LogP1.46
Rot. Bonds6

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

5-[1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 42948004) has the molecular formula C17H24N4O5S and a molecular weight of 396.47 g/mol. Its IUPAC name is 5-[1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
PubChem CID42948004
Molecular FormulaC17H24N4O5S
Molecular Weight396.47 g/mol
Exact Mass396.15
IUPAC Name5-[1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(C)c3nc(C)no3)CC2)cc1OC
InChIInChI=1S/C17H24N4O5S/c1-12(17-18-13(2)19-26-17)20-7-9-21(10-8-20)27(22,23)14-5-6-15(24-3)16(11-14)25-4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyXTLGNSZWGSYMMR-UHFFFAOYSA-N
XLogP1.46
TPSA98.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-5-[1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 42947950
3-methyl-5-[1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 55531129
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 19684649
5-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 30669379
1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine
CID 51260705
5-[1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]ethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 42938576
1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutylsulfonyl)piperazine
CID 56549188
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 26544552
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole
CID 110603064
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperazin-4-ium
CID 6952496
3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95275038
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine
CID 1279364

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole (CID 42948004) is 5-[1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole is COc1ccc(S(=O)(=O)N2CCN(C(C)c3nc(C)no3)CC2)cc1OC.
What is the InChIKey of 5-[1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is XTLGNSZWGSYMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5S/c1-12(17-18-13(2)19-26-17)20-7-9-21(10-8-20)27(22,23)14-5-6-15(24-3)16(11-14)25-4/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 5-[1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
5-[1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 396.47 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 42948004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).