3-ethyl-5-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide

C15H19N3O4S — CID 9479423

IUPAC3-ethyl-5-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1
InChIInChI=1S/C15H19N3O4S/c1-5-12-14(10(3)22-18-12)15(19)17-11-7-6-9(2)13(8-11)23(20,21)16-4/h6-8,16H,5H2,1-4H3,(H,17,19)
InChIKeyVCMUPOMZVVFVLF-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.01
Rot. Bonds5

About 3-ethyl-5-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide

3-ethyl-5-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 9479423) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID9479423
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name3-ethyl-5-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1
InChIInChI=1S/C15H19N3O4S/c1-5-12-14(10(3)22-18-12)15(19)17-11-7-6-9(2)13(8-11)23(20,21)16-4/h6-8,16H,5H2,1-4H3,(H,17,19)
InChIKeyVCMUPOMZVVFVLF-UHFFFAOYSA-N
XLogP2.01
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide (CID 9479423) is 3-ethyl-5-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1.
What is the InChIKey of 3-ethyl-5-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is VCMUPOMZVVFVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-5-12-14(10(3)22-18-12)15(19)17-11-7-6-9(2)13(8-11)23(20,21)16-4/h6-8,16H,5H2,1-4H3,(H,17,19).
What are the key properties of 3-ethyl-5-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 9479423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).