2-(furan-2-yl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole

C20H24N4O4S — CID 9393493

IUPAC2-(furan-2-yl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCCCc1ccc(S(=O)(=O)N2CCN(Cc3nnc(-c4ccco4)o3)CC2)cc1
InChIInChI=1S/C20H24N4O4S/c1-2-4-16-6-8-17(9-7-16)29(25,26)24-12-10-23(11-13-24)15-19-21-22-20(28-19)18-5-3-14-27-18/h3,5-9,14H,2,4,10-13,15H2,1H3
InChIKeySQGZKKQMHRUIKX-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.79
Rot. Bonds7

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

2-(furan-2-yl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 9393493) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID9393493
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC Name2-(furan-2-yl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCCCc1ccc(S(=O)(=O)N2CCN(Cc3nnc(-c4ccco4)o3)CC2)cc1
InChIInChI=1S/C20H24N4O4S/c1-2-4-16-6-8-17(9-7-16)29(25,26)24-12-10-23(11-13-24)15-19-21-22-20(28-19)18-5-3-14-27-18/h3,5-9,14H,2,4,10-13,15H2,1H3
InChIKeySQGZKKQMHRUIKX-UHFFFAOYSA-N
XLogP2.79
TPSA92.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-(furan-2-yl)-5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3,4-oxadiazole
CID 27125233
2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 9442964
2-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 8796754
2-(furan-2-yl)-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 53497956
(4-ethylphenyl)-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 35127035
furan-2-yl-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 26495653
2-(furan-2-yl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole
CID 43090469
1-[(3,4-dichlorophenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
CID 22207951
3-propan-2-yl-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 55525035
1-benzyl-4-(4-propylphenyl)sulfonyl-1,4-diazepane
CID 3870068
3-(4-methoxyphenyl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 24627197
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 8692407

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(furan-2-yl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole (CID 9393493) is 2-(furan-2-yl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(furan-2-yl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(furan-2-yl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole is CCCc1ccc(S(=O)(=O)N2CCN(Cc3nnc(-c4ccco4)o3)CC2)cc1.
What is the InChIKey of 2-(furan-2-yl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is SQGZKKQMHRUIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-2-4-16-6-8-17(9-7-16)29(25,26)24-12-10-23(11-13-24)15-19-21-22-20(28-19)18-5-3-14-27-18/h3,5-9,14H,2,4,10-13,15H2,1H3.
What are the key properties of 2-(furan-2-yl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole?
2-(furan-2-yl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 416.50 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 9393493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).