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

C18H20N4O4S — CID 9442964

IUPAC2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESO=S(=O)(Cc1ccccc1)N1CCN(Cc2nnc(-c3ccco3)o2)CC1
InChIInChI=1S/C18H20N4O4S/c23-27(24,14-15-5-2-1-3-6-15)22-10-8-21(9-11-22)13-17-19-20-18(26-17)16-7-4-12-25-16/h1-7,12H,8-11,13-14H2
InChIKeyHOYJHUMXZSTHPM-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.98
Rot. Bonds6

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

2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole (PubChem CID 9442964) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
PubChem CID9442964
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESO=S(=O)(Cc1ccccc1)N1CCN(Cc2nnc(-c3ccco3)o2)CC1
InChIInChI=1S/C18H20N4O4S/c23-27(24,14-15-5-2-1-3-6-15)22-10-8-21(9-11-22)13-17-19-20-18(26-17)16-7-4-12-25-16/h1-7,12H,8-11,13-14H2
InChIKeyHOYJHUMXZSTHPM-UHFFFAOYSA-N
XLogP1.98
TPSA92.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 9393493
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-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3,4-oxadiazole
CID 27125233
2-(furan-2-yl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole
CID 43090469
2-(furan-2-yl)-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 53497956
3-amino-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 107324790
(4-ethylphenyl)-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 35127035
(4-fluorophenyl)-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 36875761
1-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 35486547
1-(4-benzylpiperazin-1-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 8663343
2-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 63873892

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole (CID 9442964) is 2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole is O=S(=O)(Cc1ccccc1)N1CCN(Cc2nnc(-c3ccco3)o2)CC1.
What is the InChIKey of 2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The InChIKey is HOYJHUMXZSTHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c23-27(24,14-15-5-2-1-3-6-15)22-10-8-21(9-11-22)13-17-19-20-18(26-17)16-7-4-12-25-16/h1-7,12H,8-11,13-14H2.
What are the key properties of 2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole has a molecular weight of 388.45 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 9442964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).