2-[5-(1-cyanocyclopropyl)-2-methylanilino]-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide

C17H19N5O4S — CID 156549593

IUPAC2-[5-(1-cyanocyclopropyl)-2-methylanilino]-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C2(C#N)CC2)cc1Nc1nc(C(=O)NS(=O)(=O)N(C)C)co1
InChIInChI=1S/C17H19N5O4S/c1-11-4-5-12(17(10-18)6-7-17)8-13(11)19-16-20-14(9-26-16)15(23)21-27(24,25)22(2)3/h4-5,8-9H,6-7H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyYAXDXFWBIRMZQZ-UHFFFAOYSA-N
MW389.44 g/mol
LogP1.82
Rot. Bonds6

About 2-[5-(1-cyanocyclopropyl)-2-methylanilino]-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide

2-[5-(1-cyanocyclopropyl)-2-methylanilino]-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide (PubChem CID 156549593) has the molecular formula C17H19N5O4S and a molecular weight of 389.44 g/mol. Its IUPAC name is 2-[5-(1-cyanocyclopropyl)-2-methylanilino]-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[5-(1-cyanocyclopropyl)-2-methylanilino]-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide
PubChem CID156549593
Molecular FormulaC17H19N5O4S
Molecular Weight389.44 g/mol
Exact Mass389.12
IUPAC Name2-[5-(1-cyanocyclopropyl)-2-methylanilino]-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C2(C#N)CC2)cc1Nc1nc(C(=O)NS(=O)(=O)N(C)C)co1
InChIInChI=1S/C17H19N5O4S/c1-11-4-5-12(17(10-18)6-7-17)8-13(11)19-16-20-14(9-26-16)15(23)21-27(24,25)22(2)3/h4-5,8-9H,6-7H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyYAXDXFWBIRMZQZ-UHFFFAOYSA-N
XLogP1.82
TPSA128.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(1-cyanopropan-2-yl)-2-methylanilino]-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide
CID 156549586
2-(2,5-dimethylanilino)-N-[[4-(dimethylsulfamoyl)-1,4-diazepan-1-yl]sulfonyl]-1,3-oxazole-4-carboxamide
CID 170445813
2-(2,5-dimethylanilino)-N-pyrrolidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide
CID 156549878
N-[[3-(dimethylamino)-3-oxopropyl]-methylsulfamoyl]-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
CID 156549688
N-(3,3-dimethylpyrrolidin-1-yl)sulfonyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
CID 156549852
2-[2-methyl-5-(trifluoromethyl)anilino]-N-(4-phenylpiperazin-1-yl)sulfonyl-1,3-oxazole-4-carboxamide
CID 156549795
N-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
CID 156549834
2-(2,5-dimethylanilino)-N-[(4-propylsulfonyl-1,4-diazepan-1-yl)sulfonyl]-1,3-oxazole-4-carboxamide
CID 156549002
N-(3-methylpyrrolidin-1-yl)sulfonyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
CID 156549861
N-[[7-(cyclobutylmethoxymethyl)-1,4-oxazepan-4-yl]sulfonyl]-2-(2,5-dimethylanilino)-1,3-oxazole-4-carboxamide
CID 156549691
2-[5-(difluoromethyl)-2-methylanilino]-N-[(4-propylsulfonyl-1,4-diazepan-1-yl)sulfonyl]-1,3-oxazole-4-carboxamide
CID 170445663
2-[2-methyl-5-(2,2,2-trifluoroethyl)anilino]-N-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide
CID 156549487

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-cyanocyclopropyl)-2-methylanilino]-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[5-(1-cyanocyclopropyl)-2-methylanilino]-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide (CID 156549593) is 2-[5-(1-cyanocyclopropyl)-2-methylanilino]-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[5-(1-cyanocyclopropyl)-2-methylanilino]-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[5-(1-cyanocyclopropyl)-2-methylanilino]-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide is Cc1ccc(C2(C#N)CC2)cc1Nc1nc(C(=O)NS(=O)(=O)N(C)C)co1.
What is the InChIKey of 2-[5-(1-cyanocyclopropyl)-2-methylanilino]-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide?
The InChIKey is YAXDXFWBIRMZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4S/c1-11-4-5-12(17(10-18)6-7-17)8-13(11)19-16-20-14(9-26-16)15(23)21-27(24,25)22(2)3/h4-5,8-9H,6-7H2,1-3H3,(H,19,20)(H,21,23).
What are the key properties of 2-[5-(1-cyanocyclopropyl)-2-methylanilino]-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide?
2-[5-(1-cyanocyclopropyl)-2-methylanilino]-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide has a molecular weight of 389.44 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-cyanocyclopropyl)-2-methylanilino]-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156549593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).