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

C13H10N4O5S — CID 16861367

IUPAC3-methylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3ccno3)o2)c1
InChIInChI=1S/C13H10N4O5S/c1-23(19,20)9-4-2-3-8(7-9)11(18)15-13-17-16-12(21-13)10-5-6-14-22-10/h2-7H,1H3,(H,15,17,18)
InChIKeyZWTGDUNUIDJCBL-UHFFFAOYSA-N
MW334.31 g/mol
LogP1.38
Rot. Bonds4

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

3-methylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 16861367) has the molecular formula C13H10N4O5S and a molecular weight of 334.31 g/mol. Its IUPAC name is 3-methylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID16861367
Molecular FormulaC13H10N4O5S
Molecular Weight334.31 g/mol
Exact Mass334.04
IUPAC Name3-methylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3ccno3)o2)c1
InChIInChI=1S/C13H10N4O5S/c1-23(19,20)9-4-2-3-8(7-9)11(18)15-13-17-16-12(21-13)10-5-6-14-22-10/h2-7H,1H3,(H,15,17,18)
InChIKeyZWTGDUNUIDJCBL-UHFFFAOYSA-N
XLogP1.38
TPSA128.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-methylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16861371
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide
CID 7565715
N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16822896
4-benzoyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 42477453
4-(dimethylsulfamoyl)-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16861297
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide
CID 7655762
4-[methyl(phenyl)sulfamoyl]-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16861329
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide
CID 7267152
N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 42477526
4-morpholin-4-ylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 42477459
3-propan-2-ylsulfonyl-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41227747
3-butoxy-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578258

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 3-methylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 16861367) is 3-methylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 3-methylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 3-methylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide is CS(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3ccno3)o2)c1.
What is the InChIKey of 3-methylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is ZWTGDUNUIDJCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O5S/c1-23(19,20)9-4-2-3-8(7-9)11(18)15-13-17-16-12(21-13)10-5-6-14-22-10/h2-7H,1H3,(H,15,17,18).
What are the key properties of 3-methylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide?
3-methylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 334.31 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 16861367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).