3-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole

C15H18F2N4O3S — CID 60570904

IUPAC3-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole
SMILESCCc1nc(CN2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)no1
InChIInChI=1S/C15H18F2N4O3S/c1-2-14-18-13(19-24-14)10-20-6-8-21(9-7-20)25(22,23)15-11(16)4-3-5-12(15)17/h3-5H,2,6-10H2,1H3
InChIKeyGCGFNCOOPILROT-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.42
Rot. Bonds5

About 3-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole

3-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole (PubChem CID 60570904) has the molecular formula C15H18F2N4O3S and a molecular weight of 372.40 g/mol. Its IUPAC name is 3-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole
PubChem CID60570904
Molecular FormulaC15H18F2N4O3S
Molecular Weight372.40 g/mol
Exact Mass372.11
IUPAC Name3-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole
SMILESCCc1nc(CN2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)no1
InChIInChI=1S/C15H18F2N4O3S/c1-2-14-18-13(19-24-14)10-20-6-8-21(9-7-20)25(22,23)15-11(16)4-3-5-12(15)17/h3-5H,2,6-10H2,1H3
InChIKeyGCGFNCOOPILROT-UHFFFAOYSA-N
XLogP1.42
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120750498
5-ethyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 60570659
5-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 78835973
1-(2,6-difluorophenyl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
CID 3698955
3-propyl-5-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 18167572
5-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 18155952
5-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 18167609
1-(2,6-difluorophenyl)sulfonyl-4-[(2,5-dimethylphenyl)methyl]piperazine
CID 56777767
3-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119882488
2-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-1-(3-fluorophenyl)ethanol
CID 56802599
5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole
CID 32873847
N-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,6-difluorobenzenesulfonamide
CID 75448330

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole?
The IUPAC name of 3-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole (CID 60570904) is 3-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole is CCc1nc(CN2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)no1.
What is the InChIKey of 3-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole?
The InChIKey is GCGFNCOOPILROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O3S/c1-2-14-18-13(19-24-14)10-20-6-8-21(9-7-20)25(22,23)15-11(16)4-3-5-12(15)17/h3-5H,2,6-10H2,1H3.
What are the key properties of 3-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole?
3-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole has a molecular weight of 372.40 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 60570904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).