2,4-dimethyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-oxazole-5-carboxamide

C13H15N3O4S — CID 79164756

IUPAC2,4-dimethyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)o1
InChIInChI=1S/C13H15N3O4S/c1-7-4-5-10(6-11(7)21(14,18)19)16-13(17)12-8(2)15-9(3)20-12/h4-6H,1-3H3,(H,16,17)(H2,14,18,19)
InChIKeyYNGLGBIYHNPYMV-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.50
Rot. Bonds3

About 2,4-dimethyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-oxazole-5-carboxamide

2,4-dimethyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-oxazole-5-carboxamide (PubChem CID 79164756) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2,4-dimethyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-oxazole-5-carboxamide
PubChem CID79164756
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name2,4-dimethyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)o1
InChIInChI=1S/C13H15N3O4S/c1-7-4-5-10(6-11(7)21(14,18)19)16-13(17)12-8(2)15-9(3)20-12/h4-6H,1-3H3,(H,16,17)(H2,14,18,19)
InChIKeyYNGLGBIYHNPYMV-UHFFFAOYSA-N
XLogP1.50
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 4142231
N-(4-amino-3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 82861939
N-(4-bromo-3-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 103824749
2-methyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-thiazole-4-carboxamide
CID 47445064
5-chloro-N-(4-methyl-3-sulfamoylphenyl)furan-2-carboxamide
CID 34186723
2-chloro-4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoic acid
CID 81361370
N-(3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113434
N-(4-methyl-3-sulfamoylphenyl)thiadiazole-5-carboxamide
CID 47332366
N-(4-bromo-3-nitrophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 75440008
N-(4-methyl-3-sulfamoylphenyl)-2H-triazole-4-carboxamide
CID 47367376
N-(1H-indazol-6-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684914
N-(4-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026171

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-oxazole-5-carboxamide (CID 79164756) is 2,4-dimethyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)o1.
What is the InChIKey of 2,4-dimethyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-oxazole-5-carboxamide?
The InChIKey is YNGLGBIYHNPYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-7-4-5-10(6-11(7)21(14,18)19)16-13(17)12-8(2)15-9(3)20-12/h4-6H,1-3H3,(H,16,17)(H2,14,18,19).
What are the key properties of 2,4-dimethyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-oxazole-5-carboxamide?
2,4-dimethyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-oxazole-5-carboxamide has a molecular weight of 309.35 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 79164756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).