ethyl 5-(4-sulfamoylphenyl)-1,3,4-oxadiazole-2-carboxylate

C11H11N3O5S — CID 151887648

IUPACethyl 5-(4-sulfamoylphenyl)-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(-c2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C11H11N3O5S/c1-2-18-11(15)10-14-13-9(19-10)7-3-5-8(6-4-7)20(12,16)17/h3-6H,2H2,1H3,(H2,12,16,17)
InChIKeySQBDECJLRQUAMO-UHFFFAOYSA-N
MW297.29 g/mol
LogP0.56
Rot. Bonds4

About ethyl 5-(4-sulfamoylphenyl)-1,3,4-oxadiazole-2-carboxylate

ethyl 5-(4-sulfamoylphenyl)-1,3,4-oxadiazole-2-carboxylate (PubChem CID 151887648) has the molecular formula C11H11N3O5S and a molecular weight of 297.29 g/mol. Its IUPAC name is ethyl 5-(4-sulfamoylphenyl)-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-sulfamoylphenyl)-1,3,4-oxadiazole-2-carboxylate
PubChem CID151887648
Molecular FormulaC11H11N3O5S
Molecular Weight297.29 g/mol
Exact Mass297.04
IUPAC Nameethyl 5-(4-sulfamoylphenyl)-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(-c2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C11H11N3O5S/c1-2-18-11(15)10-14-13-9(19-10)7-3-5-8(6-4-7)20(12,16)17/h3-6H,2H2,1H3,(H2,12,16,17)
InChIKeySQBDECJLRQUAMO-UHFFFAOYSA-N
XLogP0.56
TPSA125.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate
CID 651752
4-[5-(2-Phenylethyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 153526874
4-(5-Cyclohexyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 153526881
4-(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 153526887
4-(5-Cyclopentyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 153526895
Butyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate
CID 589249
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2089447
4-(5-Phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 155523061
4-[5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 155547969
4-[5-(3-Methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 156012076
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(4-methylphenyl)sulfonylpropanoate
CID 2483899
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(dimethylsulfamoyl)benzoate
CID 2418267

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-sulfamoylphenyl)-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of ethyl 5-(4-sulfamoylphenyl)-1,3,4-oxadiazole-2-carboxylate (CID 151887648) is ethyl 5-(4-sulfamoylphenyl)-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(4-sulfamoylphenyl)-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for ethyl 5-(4-sulfamoylphenyl)-1,3,4-oxadiazole-2-carboxylate is CCOC(=O)c1nnc(-c2ccc(S(N)(=O)=O)cc2)o1.
What is the InChIKey of ethyl 5-(4-sulfamoylphenyl)-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is SQBDECJLRQUAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O5S/c1-2-18-11(15)10-14-13-9(19-10)7-3-5-8(6-4-7)20(12,16)17/h3-6H,2H2,1H3,(H2,12,16,17).
What are the key properties of ethyl 5-(4-sulfamoylphenyl)-1,3,4-oxadiazole-2-carboxylate?
ethyl 5-(4-sulfamoylphenyl)-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 297.29 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-sulfamoylphenyl)-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 151887648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).