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

C17H16F2N4O4S — CID 8796754

IUPAC2-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCN(Cc2nnc(-c3ccco3)o2)CC1
InChIInChI=1S/C17H16F2N4O4S/c18-12-3-4-13(19)15(10-12)28(24,25)23-7-5-22(6-8-23)11-16-20-21-17(27-16)14-2-1-9-26-14/h1-4,9-10H,5-8,11H2
InChIKeyLNPRUFWIYCGPRB-UHFFFAOYSA-N
MW410.40 g/mol
LogP2.11
Rot. Bonds5

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

2-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole (PubChem CID 8796754) has the molecular formula C17H16F2N4O4S and a molecular weight of 410.40 g/mol. Its IUPAC name is 2-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
PubChem CID8796754
Molecular FormulaC17H16F2N4O4S
Molecular Weight410.40 g/mol
Exact Mass410.09
IUPAC Name2-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCN(Cc2nnc(-c3ccco3)o2)CC1
InChIInChI=1S/C17H16F2N4O4S/c18-12-3-4-13(19)15(10-12)28(24,25)23-7-5-22(6-8-23)11-16-20-21-17(27-16)14-2-1-9-26-14/h1-4,9-10H,5-8,11H2
InChIKeyLNPRUFWIYCGPRB-UHFFFAOYSA-N
XLogP2.11
TPSA92.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[[5-(Furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 2095889
2-(Furan-2-yl)-5-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 4847139
2-(1-((2,4-Difluorophenyl)sulfonyl)piperidin-4-yl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 44062239
2-[[4-(2-Ethoxyethyl)piperazin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 53588917
2-[[4-(4-Fluorophenoxy)piperidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 72012552
4-(4-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 44062061
2-(Furan-2-yl)-5-(1-((4-methoxyphenyl)sulfonyl)piperidin-4-yl)-1,3,4-oxadiazole
CID 44062235
2-(1-((4-Chlorophenyl)sulfonyl)piperidin-4-yl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 44062244
2-(1-((2,4-Dimethylphenyl)sulfonyl)piperidin-4-yl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 44062246
1-{[5-(5-Methyl-1,3,4-oxadiazol-2-YL)furan-2-YL]sulfonyl}piperidine
CID 53175451
4-{[5-(5-Methyl-1,3,4-oxadiazol-2-YL)furan-2-YL]sulfonyl}morpholine
CID 53175452
4-({5-[5-(Propan-2-YL)-1,3,4-oxadiazol-2-YL]furan-2-YL}sulfonyl)morpholine
CID 53175554

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole (CID 8796754) is 2-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole is O=S(=O)(c1cc(F)ccc1F)N1CCN(Cc2nnc(-c3ccco3)o2)CC1.
What is the InChIKey of 2-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The InChIKey is LNPRUFWIYCGPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O4S/c18-12-3-4-13(19)15(10-12)28(24,25)23-7-5-22(6-8-23)11-16-20-21-17(27-16)14-2-1-9-26-14/h1-4,9-10H,5-8,11H2.
What are the key properties of 2-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
2-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole has a molecular weight of 410.40 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 8796754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).