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

C18H17N3O5S — CID 2418267

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)OCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H17N3O5S/c1-21(2)27(23,24)15-10-8-14(9-11-15)18(22)25-12-16-19-20-17(26-16)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3
InChIKeyFWPOYZKZSHNKIT-UHFFFAOYSA-N
MW387.42 g/mol
LogP2.34
Rot. Bonds6

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

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(dimethylsulfamoyl)benzoate (PubChem CID 2418267) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(dimethylsulfamoyl)benzoate
PubChem CID2418267
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)OCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H17N3O5S/c1-21(2)27(23,24)15-10-8-14(9-11-15)18(22)25-12-16-19-20-17(26-16)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3
InChIKeyFWPOYZKZSHNKIT-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

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Related Compounds

(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl benzoate
CID 5178828
Ethyl 5-(4-sulfamoylphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 151887648
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
{5-[4-(Piperidine-1-sulfonyl)-phenyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetic acid methyl ester
CID 648859
(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-(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-[4-(4-Methyl-piperidine-1-sulfonyl)-phenyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetic acid methyl ester
CID 651063
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 9118516
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 16528787

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(dimethylsulfamoyl)benzoate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(dimethylsulfamoyl)benzoate (CID 2418267) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(dimethylsulfamoyl)benzoate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(dimethylsulfamoyl)benzoate is CN(C)S(=O)(=O)c1ccc(C(=O)OCc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(dimethylsulfamoyl)benzoate?
The InChIKey is FWPOYZKZSHNKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-21(2)27(23,24)15-10-8-14(9-11-15)18(22)25-12-16-19-20-17(26-16)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(dimethylsulfamoyl)benzoate?
(5-phenyl-1,3,4-oxadiazol-2-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 (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 2418267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).