4-methyl-N-[(4-sulfamoylphenyl)methyl]-1,2-oxazole-5-carboxamide

C12H13N3O4S — CID 66335292

IUPAC4-methyl-N-[(4-sulfamoylphenyl)methyl]-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H13N3O4S/c1-8-6-15-19-11(8)12(16)14-7-9-2-4-10(5-3-9)20(13,17)18/h2-6H,7H2,1H3,(H,14,16)(H2,13,17,18)
InChIKeyNLGUSEOUMHDXQH-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.56
Rot. Bonds4

About 4-methyl-N-[(4-sulfamoylphenyl)methyl]-1,2-oxazole-5-carboxamide

4-methyl-N-[(4-sulfamoylphenyl)methyl]-1,2-oxazole-5-carboxamide (PubChem CID 66335292) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is 4-methyl-N-[(4-sulfamoylphenyl)methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(4-sulfamoylphenyl)methyl]-1,2-oxazole-5-carboxamide
PubChem CID66335292
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name4-methyl-N-[(4-sulfamoylphenyl)methyl]-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H13N3O4S/c1-8-6-15-19-11(8)12(16)14-7-9-2-4-10(5-3-9)20(13,17)18/h2-6H,7H2,1H3,(H,14,16)(H2,13,17,18)
InChIKeyNLGUSEOUMHDXQH-UHFFFAOYSA-N
XLogP0.56
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-3-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 146074874
4-methyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-carboxamide
CID 79777228
3,4,6-trimethyl-N-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 986536
3-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]benzoic acid
CID 66334630
N-[(2-bromophenyl)methyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66334349
2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110761535
4-methyl-N-(3-sulfamoylphenyl)-1,2-oxazole-5-carboxamide
CID 66335294
3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 43582486
ethyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 5054603
5-amino-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 81310942
5-methoxy-2-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
CID 146043450
2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
CID 84580537

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-sulfamoylphenyl)methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(4-sulfamoylphenyl)methyl]-1,2-oxazole-5-carboxamide (CID 66335292) is 4-methyl-N-[(4-sulfamoylphenyl)methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(4-sulfamoylphenyl)methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(4-sulfamoylphenyl)methyl]-1,2-oxazole-5-carboxamide is Cc1cnoc1C(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-methyl-N-[(4-sulfamoylphenyl)methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is NLGUSEOUMHDXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-8-6-15-19-11(8)12(16)14-7-9-2-4-10(5-3-9)20(13,17)18/h2-6H,7H2,1H3,(H,14,16)(H2,13,17,18).
What are the key properties of 4-methyl-N-[(4-sulfamoylphenyl)methyl]-1,2-oxazole-5-carboxamide?
4-methyl-N-[(4-sulfamoylphenyl)methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 295.32 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-sulfamoylphenyl)methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 66335292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).