[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-(diethylsulfamoyl)-2-methylbenzoate

C19H21N3O6S — CID 7901642

IUPAC[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-(diethylsulfamoyl)-2-methylbenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)OCc2nnc(-c3ccco3)o2)c1
InChIInChI=1S/C19H21N3O6S/c1-4-22(5-2)29(24,25)14-9-8-13(3)15(11-14)19(23)27-12-17-20-21-18(28-17)16-7-6-10-26-16/h6-11H,4-5,12H2,1-3H3
InChIKeySLEUGLLUATWBGN-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.03
Rot. Bonds8

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

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-(diethylsulfamoyl)-2-methylbenzoate (PubChem CID 7901642) has the molecular formula C19H21N3O6S and a molecular weight of 419.46 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-(diethylsulfamoyl)-2-methylbenzoate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-(diethylsulfamoyl)-2-methylbenzoate
PubChem CID7901642
Molecular FormulaC19H21N3O6S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-(diethylsulfamoyl)-2-methylbenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)OCc2nnc(-c3ccco3)o2)c1
InChIInChI=1S/C19H21N3O6S/c1-4-22(5-2)29(24,25)14-9-8-13(3)15(11-14)19(23)27-12-17-20-21-18(28-17)16-7-6-10-26-16/h6-11H,4-5,12H2,1-3H3
InChIKeySLEUGLLUATWBGN-UHFFFAOYSA-N
XLogP3.03
TPSA115.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-(diethylsulfamoyl)-2-methylbenzoate with MolForge

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Related Compounds

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-hydroxybenzoate
CID 7797636
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-5-methylsulfonylbenzoate
CID 31523829
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-5-methylsulfonylbenzoate
CID 18104119
(2-nitrophenyl)methyl 5-(diethylsulfamoyl)-2-methylbenzoate
CID 7901653
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2,3,4-trimethoxybenzoate
CID 8610388
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate
CID 7976985
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 7830696
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 2638210
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate
CID 8014045
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl thiophene-2-carboxylate
CID 8630987
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-nitrofuran-2-carboxylate
CID 9454803
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-chlorobenzoyl)benzoate
CID 7812387

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-(diethylsulfamoyl)-2-methylbenzoate?
The IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-(diethylsulfamoyl)-2-methylbenzoate (CID 7901642) is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-(diethylsulfamoyl)-2-methylbenzoate.
What is the SMILES notation for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-(diethylsulfamoyl)-2-methylbenzoate?
The canonical SMILES for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-(diethylsulfamoyl)-2-methylbenzoate is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)OCc2nnc(-c3ccco3)o2)c1.
What is the InChIKey of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-(diethylsulfamoyl)-2-methylbenzoate?
The InChIKey is SLEUGLLUATWBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6S/c1-4-22(5-2)29(24,25)14-9-8-13(3)15(11-14)19(23)27-12-17-20-21-18(28-17)16-7-6-10-26-16/h6-11H,4-5,12H2,1-3H3.
What are the key properties of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-(diethylsulfamoyl)-2-methylbenzoate?
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-(diethylsulfamoyl)-2-methylbenzoate has a molecular weight of 419.46 g/mol, XLogP of 3.03, 8 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-(diethylsulfamoyl)-2-methylbenzoate is sourced from PubChem (CID 7901642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).