[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate

C16H14FN3O6S — CID 7976100

IUPAC[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
SMILESCN(C)S(=O)(=O)c1ccc(F)c(C(=O)OCc2nnc(-c3ccco3)o2)c1
InChIInChI=1S/C16H14FN3O6S/c1-20(2)27(22,23)10-5-6-12(17)11(8-10)16(21)25-9-14-18-19-15(26-14)13-4-3-7-24-13/h3-8H,9H2,1-2H3
InChIKeyKHTFJKRBJJFCLK-UHFFFAOYSA-N
MW395.37 g/mol
LogP2.08
Rot. Bonds6

About [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate (PubChem CID 7976100) has the molecular formula C16H14FN3O6S and a molecular weight of 395.37 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
PubChem CID7976100
Molecular FormulaC16H14FN3O6S
Molecular Weight395.37 g/mol
Exact Mass395.06
IUPAC Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
SMILESCN(C)S(=O)(=O)c1ccc(F)c(C(=O)OCc2nnc(-c3ccco3)o2)c1
InChIInChI=1S/C16H14FN3O6S/c1-20(2)27(22,23)10-5-6-12(17)11(8-10)16(21)25-9-14-18-19-15(26-14)13-4-3-7-24-13/h3-8H,9H2,1-2H3
InChIKeyKHTFJKRBJJFCLK-UHFFFAOYSA-N
XLogP2.08
TPSA115.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate 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-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate?
The IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate (CID 7976100) is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate.
What is the SMILES notation for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate?
The canonical SMILES for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate is CN(C)S(=O)(=O)c1ccc(F)c(C(=O)OCc2nnc(-c3ccco3)o2)c1.
What is the InChIKey of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate?
The InChIKey is KHTFJKRBJJFCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O6S/c1-20(2)27(22,23)10-5-6-12(17)11(8-10)16(21)25-9-14-18-19-15(26-14)13-4-3-7-24-13/h3-8H,9H2,1-2H3.
What are the key properties of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate?
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate has a molecular weight of 395.37 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate is sourced from PubChem (CID 7976100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).