4-methyl-2-[[(4-methylphenyl)sulfonylamino]methyl]-1,3-oxazole-5-carboxamide

C13H15N3O4S — CID 68805332

IUPAC4-methyl-2-[[(4-methylphenyl)sulfonylamino]methyl]-1,3-oxazole-5-carboxamide
SMILESCc1ccc(S(=O)(=O)NCc2nc(C)c(C(N)=O)o2)cc1
InChIInChI=1S/C13H15N3O4S/c1-8-3-5-10(6-4-8)21(18,19)15-7-11-16-9(2)12(20-11)13(14)17/h3-6,15H,7H2,1-2H3,(H2,14,17)
InChIKeyRMQHBHLDUZTVDT-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.87
Rot. Bonds5

About 4-methyl-2-[[(4-methylphenyl)sulfonylamino]methyl]-1,3-oxazole-5-carboxamide

4-methyl-2-[[(4-methylphenyl)sulfonylamino]methyl]-1,3-oxazole-5-carboxamide (PubChem CID 68805332) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 4-methyl-2-[[(4-methylphenyl)sulfonylamino]methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[[(4-methylphenyl)sulfonylamino]methyl]-1,3-oxazole-5-carboxamide
PubChem CID68805332
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name4-methyl-2-[[(4-methylphenyl)sulfonylamino]methyl]-1,3-oxazole-5-carboxamide
SMILESCc1ccc(S(=O)(=O)NCc2nc(C)c(C(N)=O)o2)cc1
InChIInChI=1S/C13H15N3O4S/c1-8-3-5-10(6-4-8)21(18,19)15-7-11-16-9(2)12(20-11)13(14)17/h3-6,15H,7H2,1-2H3,(H2,14,17)
InChIKeyRMQHBHLDUZTVDT-UHFFFAOYSA-N
XLogP0.87
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 86825342
2,4-dimethyl-1,3-oxazole-5-carboxamide;4-methylbenzenesulfonic acid
CID 87763669
N-[[5-[[(4-methylphenyl)sulfonylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 102500653
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylbenzenesulfonamide
CID 110293556
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylbenzenesulfonamide
CID 121122925
N-[(3,6-dichloropyridazin-4-yl)methyl]-4-methylbenzenesulfonamide
CID 11771905
4-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319458
N-[[5-(benzamidocarbamoyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-bromobenzenesulfonamide
CID 162664506
4-methyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110322355
4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 5106222
3,4-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 110322874
2-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 3439524

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(4-methylphenyl)sulfonylamino]methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-2-[[(4-methylphenyl)sulfonylamino]methyl]-1,3-oxazole-5-carboxamide (CID 68805332) is 4-methyl-2-[[(4-methylphenyl)sulfonylamino]methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-[[(4-methylphenyl)sulfonylamino]methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-[[(4-methylphenyl)sulfonylamino]methyl]-1,3-oxazole-5-carboxamide is Cc1ccc(S(=O)(=O)NCc2nc(C)c(C(N)=O)o2)cc1.
What is the InChIKey of 4-methyl-2-[[(4-methylphenyl)sulfonylamino]methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is RMQHBHLDUZTVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-8-3-5-10(6-4-8)21(18,19)15-7-11-16-9(2)12(20-11)13(14)17/h3-6,15H,7H2,1-2H3,(H2,14,17).
What are the key properties of 4-methyl-2-[[(4-methylphenyl)sulfonylamino]methyl]-1,3-oxazole-5-carboxamide?
4-methyl-2-[[(4-methylphenyl)sulfonylamino]methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 309.35 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(4-methylphenyl)sulfonylamino]methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 68805332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).