[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate

C22H19N3O7S — CID 43025997

IUPAC[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCOc1ccc(-c2noc(COC(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)n2)cc1
InChIInChI=1S/C22H19N3O7S/c1-29-17-8-4-15(5-9-17)21-24-20(32-25-21)14-31-22(26)16-6-10-19(11-7-16)33(27,28)23-13-18-3-2-12-30-18/h2-12,23H,13-14H2,1H3
InChIKeyYYCOQITUXUALFC-UHFFFAOYSA-N
MW469.48 g/mol
LogP3.17
Rot. Bonds9

About [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate

[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 43025997) has the molecular formula C22H19N3O7S and a molecular weight of 469.48 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID43025997
Molecular FormulaC22H19N3O7S
Molecular Weight469.48 g/mol
Exact Mass469.09
IUPAC Name[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCOc1ccc(-c2noc(COC(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)n2)cc1
InChIInChI=1S/C22H19N3O7S/c1-29-17-8-4-15(5-9-17)21-24-20(32-25-21)14-31-22(26)16-6-10-19(11-7-16)33(27,28)23-13-18-3-2-12-30-18/h2-12,23H,13-14H2,1H3
InChIKeyYYCOQITUXUALFC-UHFFFAOYSA-N
XLogP3.17
TPSA133.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate with MolForge

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Related Compounds

[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16526912
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylbenzoate
CID 40745448
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2115625
benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765854
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
CID 29443715
2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3292841
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(dimethylamino)benzoate
CID 40738912
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18286547
4-(furan-2-ylmethylsulfamoyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55976163
4-(furan-2-ylmethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 24547189
(1,3-dioxoisoindol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3970570
4-methoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 4897923

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate (CID 43025997) is [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate is COc1ccc(-c2noc(COC(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)n2)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is YYCOQITUXUALFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O7S/c1-29-17-8-4-15(5-9-17)21-24-20(32-25-21)14-31-22(26)16-6-10-19(11-7-16)33(27,28)23-13-18-3-2-12-30-18/h2-12,23H,13-14H2,1H3.
What are the key properties of [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 469.48 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 43025997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).