2-(5-cyclobutyl-2-methylanilino)-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide

C17H22N4O4S — CID 156549697

IUPAC2-(5-cyclobutyl-2-methylanilino)-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C2CCC2)cc1Nc1nc(C(=O)NS(=O)(=O)N(C)C)co1
InChIInChI=1S/C17H22N4O4S/c1-11-7-8-13(12-5-4-6-12)9-14(11)18-17-19-15(10-25-17)16(22)20-26(23,24)21(2)3/h7-10,12H,4-6H2,1-3H3,(H,18,19)(H,20,22)
InChIKeyIPDIPLIIHCWAGM-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.53
Rot. Bonds6

About 2-(5-cyclobutyl-2-methylanilino)-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide

2-(5-cyclobutyl-2-methylanilino)-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide (PubChem CID 156549697) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-(5-cyclobutyl-2-methylanilino)-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-cyclobutyl-2-methylanilino)-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide
PubChem CID156549697
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name2-(5-cyclobutyl-2-methylanilino)-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C2CCC2)cc1Nc1nc(C(=O)NS(=O)(=O)N(C)C)co1
InChIInChI=1S/C17H22N4O4S/c1-11-7-8-13(12-5-4-6-12)9-14(11)18-17-19-15(10-25-17)16(22)20-26(23,24)21(2)3/h7-10,12H,4-6H2,1-3H3,(H,18,19)(H,20,22)
InChIKeyIPDIPLIIHCWAGM-UHFFFAOYSA-N
XLogP2.53
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclobutyl-2-methylanilino)-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(5-cyclobutyl-2-methylanilino)-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide (CID 156549697) is 2-(5-cyclobutyl-2-methylanilino)-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(5-cyclobutyl-2-methylanilino)-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(5-cyclobutyl-2-methylanilino)-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide is Cc1ccc(C2CCC2)cc1Nc1nc(C(=O)NS(=O)(=O)N(C)C)co1.
What is the InChIKey of 2-(5-cyclobutyl-2-methylanilino)-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide?
The InChIKey is IPDIPLIIHCWAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-11-7-8-13(12-5-4-6-12)9-14(11)18-17-19-15(10-25-17)16(22)20-26(23,24)21(2)3/h7-10,12H,4-6H2,1-3H3,(H,18,19)(H,20,22).
What are the key properties of 2-(5-cyclobutyl-2-methylanilino)-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide?
2-(5-cyclobutyl-2-methylanilino)-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclobutyl-2-methylanilino)-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156549697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).