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

C19H28N4O5S — CID 30669379

IUPAC5-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
SMILESCOc1ccc(S(=O)(=O)N2CCN(Cc3nc(CC(C)C)no3)CC2)cc1OC
InChIInChI=1S/C19H28N4O5S/c1-14(2)11-18-20-19(28-21-18)13-22-7-9-23(10-8-22)29(24,25)15-5-6-16(26-3)17(12-15)27-4/h5-6,12,14H,7-11,13H2,1-4H3
InChIKeySWPQHXNSLNGVSK-UHFFFAOYSA-N
MW424.52 g/mol
LogP1.79
Rot. Bonds8

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

5-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole (PubChem CID 30669379) has the molecular formula C19H28N4O5S and a molecular weight of 424.52 g/mol. Its IUPAC name is 5-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
PubChem CID30669379
Molecular FormulaC19H28N4O5S
Molecular Weight424.52 g/mol
Exact Mass424.18
IUPAC Name5-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
SMILESCOc1ccc(S(=O)(=O)N2CCN(Cc3nc(CC(C)C)no3)CC2)cc1OC
InChIInChI=1S/C19H28N4O5S/c1-14(2)11-18-20-19(28-21-18)13-22-7-9-23(10-8-22)29(24,25)15-5-6-16(26-3)17(12-15)27-4/h5-6,12,14H,7-11,13H2,1-4H3
InChIKeySWPQHXNSLNGVSK-UHFFFAOYSA-N
XLogP1.79
TPSA98.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-(2-methylpropyl)-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

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole (CID 30669379) is 5-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole is COc1ccc(S(=O)(=O)N2CCN(Cc3nc(CC(C)C)no3)CC2)cc1OC.
What is the InChIKey of 5-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole?
The InChIKey is SWPQHXNSLNGVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O5S/c1-14(2)11-18-20-19(28-21-18)13-22-7-9-23(10-8-22)29(24,25)15-5-6-16(26-3)17(12-15)27-4/h5-6,12,14H,7-11,13H2,1-4H3.
What are the key properties of 5-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole?
5-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole has a molecular weight of 424.52 g/mol, XLogP of 1.79, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 30669379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).