4-ethylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide

C14H12N4O5S — CID 16861371

IUPAC4-ethylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccno3)o2)cc1
InChIInChI=1S/C14H12N4O5S/c1-2-24(20,21)10-5-3-9(4-6-10)12(19)16-14-18-17-13(22-14)11-7-8-15-23-11/h3-8H,2H2,1H3,(H,16,18,19)
InChIKeyBRLCNFRNPIMTIU-UHFFFAOYSA-N
MW348.34 g/mol
LogP1.77
Rot. Bonds5

About 4-ethylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide

4-ethylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 16861371) has the molecular formula C14H12N4O5S and a molecular weight of 348.34 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-ethylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID16861371
Molecular FormulaC14H12N4O5S
Molecular Weight348.34 g/mol
Exact Mass348.05
IUPAC Name4-ethylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccno3)o2)cc1
InChIInChI=1S/C14H12N4O5S/c1-2-24(20,21)10-5-3-9(4-6-10)12(19)16-14-18-17-13(22-14)11-7-8-15-23-11/h3-8H,2H2,1H3,(H,16,18,19)
InChIKeyBRLCNFRNPIMTIU-UHFFFAOYSA-N
XLogP1.77
TPSA128.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(dimethylsulfamoyl)-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16861297
4-ethylsulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7295297
4-[methyl(phenyl)sulfamoyl]-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16861329
4-ethylsulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854620
4-morpholin-4-ylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 42477459
4-benzoyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 42477453
3-methylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16861367
4-ethylsulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7579515
N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 42477526
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43978018
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 43978019
4-[cyclohexyl(methyl)sulfamoyl]-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43978034

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-ethylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 16861371) is 4-ethylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-ethylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-ethylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide is CCS(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccno3)o2)cc1.
What is the InChIKey of 4-ethylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is BRLCNFRNPIMTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O5S/c1-2-24(20,21)10-5-3-9(4-6-10)12(19)16-14-18-17-13(22-14)11-7-8-15-23-11/h3-8H,2H2,1H3,(H,16,18,19).
What are the key properties of 4-ethylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide?
4-ethylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 348.34 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 16861371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).