N'-(5-methyl-1,2-oxazol-3-yl)-N-(4-sulfamoylphenyl)oxamide

C12H12N4O5S — CID 108508730

IUPACN'-(5-methyl-1,2-oxazol-3-yl)-N-(4-sulfamoylphenyl)oxamide
SMILESCc1cc(NC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)no1
InChIInChI=1S/C12H12N4O5S/c1-7-6-10(16-21-7)15-12(18)11(17)14-8-2-4-9(5-3-8)22(13,19)20/h2-6H,1H3,(H,14,17)(H2,13,19,20)(H,15,16,18)
InChIKeyGWZIXPAHEIYHNS-UHFFFAOYSA-N
MW324.32 g/mol
LogP0.21
Rot. Bonds3

About N'-(5-methyl-1,2-oxazol-3-yl)-N-(4-sulfamoylphenyl)oxamide

N'-(5-methyl-1,2-oxazol-3-yl)-N-(4-sulfamoylphenyl)oxamide (PubChem CID 108508730) has the molecular formula C12H12N4O5S and a molecular weight of 324.32 g/mol. Its IUPAC name is N'-(5-methyl-1,2-oxazol-3-yl)-N-(4-sulfamoylphenyl)oxamide.

Molecular Properties

Compound NameN'-(5-methyl-1,2-oxazol-3-yl)-N-(4-sulfamoylphenyl)oxamide
PubChem CID108508730
Molecular FormulaC12H12N4O5S
Molecular Weight324.32 g/mol
Exact Mass324.05
IUPAC NameN'-(5-methyl-1,2-oxazol-3-yl)-N-(4-sulfamoylphenyl)oxamide
SMILESCc1cc(NC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)no1
InChIInChI=1S/C12H12N4O5S/c1-7-6-10(16-21-7)15-12(18)11(17)14-8-2-4-9(5-3-8)22(13,19)20/h2-6H,1H3,(H,14,17)(H2,13,19,20)(H,15,16,18)
InChIKeyGWZIXPAHEIYHNS-UHFFFAOYSA-N
XLogP0.21
TPSA144.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47245192
N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996069
N'-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)oxamide
CID 44996030
N-(2-hydroxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108514273
N'-(2,6-dimethylphenyl)-N-(4-sulfamoylphenyl)oxamide
CID 108508841
1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812089
N-(4-fluorophenyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508654
N-(3-chlorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47204376
1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide
CID 5175832
2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 503706
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]acetamide
CID 112990326
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 4848044

Frequently Asked Questions

What is the IUPAC name of N'-(5-methyl-1,2-oxazol-3-yl)-N-(4-sulfamoylphenyl)oxamide?
The IUPAC name of N'-(5-methyl-1,2-oxazol-3-yl)-N-(4-sulfamoylphenyl)oxamide (CID 108508730) is N'-(5-methyl-1,2-oxazol-3-yl)-N-(4-sulfamoylphenyl)oxamide.
What is the SMILES notation for N'-(5-methyl-1,2-oxazol-3-yl)-N-(4-sulfamoylphenyl)oxamide?
The canonical SMILES for N'-(5-methyl-1,2-oxazol-3-yl)-N-(4-sulfamoylphenyl)oxamide is Cc1cc(NC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)no1.
What is the InChIKey of N'-(5-methyl-1,2-oxazol-3-yl)-N-(4-sulfamoylphenyl)oxamide?
The InChIKey is GWZIXPAHEIYHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O5S/c1-7-6-10(16-21-7)15-12(18)11(17)14-8-2-4-9(5-3-8)22(13,19)20/h2-6H,1H3,(H,14,17)(H2,13,19,20)(H,15,16,18).
What are the key properties of N'-(5-methyl-1,2-oxazol-3-yl)-N-(4-sulfamoylphenyl)oxamide?
N'-(5-methyl-1,2-oxazol-3-yl)-N-(4-sulfamoylphenyl)oxamide has a molecular weight of 324.32 g/mol, XLogP of 0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-1,2-oxazol-3-yl)-N-(4-sulfamoylphenyl)oxamide is sourced from PubChem (CID 108508730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).