(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(dimethylsulfamoyl)benzoate

C18H17N3O5S — CID 2473124

IUPAC(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)OCc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C18H17N3O5S/c1-21(2)27(23,24)15-10-8-14(9-11-15)18(22)25-12-16-19-17(20-26-16)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3
InChIKeyADWVHISGAXUMPC-UHFFFAOYSA-N
MW387.42 g/mol
LogP2.34
Rot. Bonds6

About (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(dimethylsulfamoyl)benzoate

(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(dimethylsulfamoyl)benzoate (PubChem CID 2473124) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(dimethylsulfamoyl)benzoate
PubChem CID2473124
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Name(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)OCc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C18H17N3O5S/c1-21(2)27(23,24)15-10-8-14(9-11-15)18(22)25-12-16-19-17(20-26-16)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3
InChIKeyADWVHISGAXUMPC-UHFFFAOYSA-N
XLogP2.34
TPSA102.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(dimethylsulfamoyl)benzoate 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 (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(dimethylsulfamoyl)benzoate?
The IUPAC name of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(dimethylsulfamoyl)benzoate (CID 2473124) is (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(dimethylsulfamoyl)benzoate?
The canonical SMILES for (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(dimethylsulfamoyl)benzoate is CN(C)S(=O)(=O)c1ccc(C(=O)OCc2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(dimethylsulfamoyl)benzoate?
The InChIKey is ADWVHISGAXUMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-21(2)27(23,24)15-10-8-14(9-11-15)18(22)25-12-16-19-17(20-26-16)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3.
What are the key properties of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(dimethylsulfamoyl)benzoate?
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(dimethylsulfamoyl)benzoate has a molecular weight of 387.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 2473124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).