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

C17H24N4O4S — CID 156549522

IUPAC2-(5-tert-butyl-2-methylanilino)-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C(C)(C)C)cc1Nc1nc(C(=O)NS(=O)(=O)N(C)C)co1
InChIInChI=1S/C17H24N4O4S/c1-11-7-8-12(17(2,3)4)9-13(11)18-16-19-14(10-25-16)15(22)20-26(23,24)21(5)6/h7-10H,1-6H3,(H,18,19)(H,20,22)
InChIKeyLJBQOGPXGDQSHL-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.56
Rot. Bonds5

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

2-(5-tert-butyl-2-methylanilino)-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide (PubChem CID 156549522) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-methylanilino)-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-tert-butyl-2-methylanilino)-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide
PubChem CID156549522
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC Name2-(5-tert-butyl-2-methylanilino)-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C(C)(C)C)cc1Nc1nc(C(=O)NS(=O)(=O)N(C)C)co1
InChIInChI=1S/C17H24N4O4S/c1-11-7-8-12(17(2,3)4)9-13(11)18-16-19-14(10-25-16)15(22)20-26(23,24)21(5)6/h7-10H,1-6H3,(H,18,19)(H,20,22)
InChIKeyLJBQOGPXGDQSHL-UHFFFAOYSA-N
XLogP2.56
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Nlrp3-IN-25
CID 156548931
US20230399319, Example 2-068
CID 156549519
US20230399319, Example 13
CID 156549528
US20230399319, Example 2-040
CID 156549535
US20230399319, Example 68
CID 156549577
US20230399319, Example 2-118
CID 156549587
US20230399319, Example 2-036
CID 156549697
US20230399319, Example 2-032
CID 156549700
US20230399319, Example 2-016
CID 156549734
US20230399319, Example 70
CID 156549815
US20230399319, Example 69
CID 156549817
US20230399319, Example 2-030
CID 156549832

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-methylanilino)-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(5-tert-butyl-2-methylanilino)-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide (CID 156549522) is 2-(5-tert-butyl-2-methylanilino)-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(5-tert-butyl-2-methylanilino)-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(5-tert-butyl-2-methylanilino)-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide is Cc1ccc(C(C)(C)C)cc1Nc1nc(C(=O)NS(=O)(=O)N(C)C)co1.
What is the InChIKey of 2-(5-tert-butyl-2-methylanilino)-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide?
The InChIKey is LJBQOGPXGDQSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-11-7-8-12(17(2,3)4)9-13(11)18-16-19-14(10-25-16)15(22)20-26(23,24)21(5)6/h7-10H,1-6H3,(H,18,19)(H,20,22).
What are the key properties of 2-(5-tert-butyl-2-methylanilino)-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide?
2-(5-tert-butyl-2-methylanilino)-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-methylanilino)-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156549522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).