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

C17H21N5O4S — CID 156549586

IUPAC2-[5-(1-cyanopropan-2-yl)-2-methylanilino]-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C(C)CC#N)cc1Nc1nc(C(=O)NS(=O)(=O)N(C)C)co1
InChIInChI=1S/C17H21N5O4S/c1-11(7-8-18)13-6-5-12(2)14(9-13)19-17-20-15(10-26-17)16(23)21-27(24,25)22(3)4/h5-6,9-11H,7H2,1-4H3,(H,19,20)(H,21,23)
InChIKeyOMEYKNGGUULSKB-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.28
Rot. Bonds7

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

2-[5-(1-cyanopropan-2-yl)-2-methylanilino]-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide (PubChem CID 156549586) has the molecular formula C17H21N5O4S and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-[5-(1-cyanopropan-2-yl)-2-methylanilino]-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[5-(1-cyanopropan-2-yl)-2-methylanilino]-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide
PubChem CID156549586
Molecular FormulaC17H21N5O4S
Molecular Weight391.45 g/mol
Exact Mass391.13
IUPAC Name2-[5-(1-cyanopropan-2-yl)-2-methylanilino]-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C(C)CC#N)cc1Nc1nc(C(=O)NS(=O)(=O)N(C)C)co1
InChIInChI=1S/C17H21N5O4S/c1-11(7-8-18)13-6-5-12(2)14(9-13)19-17-20-15(10-26-17)16(23)21-27(24,25)22(3)4/h5-6,9-11H,7H2,1-4H3,(H,19,20)(H,21,23)
InChIKeyOMEYKNGGUULSKB-UHFFFAOYSA-N
XLogP2.28
TPSA128.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(1-cyanocyclopropyl)-2-methylanilino]-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide
CID 156549593
2-[5-(difluoromethyl)-2-methylanilino]-N-[(4-propylsulfonyl-1,4-diazepan-1-yl)sulfonyl]-1,3-oxazole-4-carboxamide
CID 170445663
2-(2,5-dimethylanilino)-N-pyrrolidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide
CID 156549878
2-(2,5-dimethylanilino)-N-[(4-propylsulfonyl-1,4-diazepan-1-yl)sulfonyl]-1,3-oxazole-4-carboxamide
CID 156549002
N-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
CID 156549834
2-[2-methyl-5-(trifluoromethyl)anilino]-N-(4-phenylpiperazin-1-yl)sulfonyl-1,3-oxazole-4-carboxamide
CID 156549795
N-(3,3-dimethylpyrrolidin-1-yl)sulfonyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
CID 156549852
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 100775650
2-[2-methyl-5-(2,2,2-trifluoroethyl)anilino]-N-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide
CID 156549487
N-(3-methylpyrrolidin-1-yl)sulfonyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
CID 156549861
2-(4-fluoro-2,5-dimethylanilino)-N-[[7-(propan-2-ylsulfonylmethyl)-1,4-oxazepan-4-yl]sulfonyl]-1,3-oxazole-4-carboxamide
CID 156549000
N-[[7-(cyclobutylmethoxymethyl)-1,4-oxazepan-4-yl]sulfonyl]-2-(2,5-dimethylanilino)-1,3-oxazole-4-carboxamide
CID 156549691

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-cyanopropan-2-yl)-2-methylanilino]-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[5-(1-cyanopropan-2-yl)-2-methylanilino]-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide (CID 156549586) is 2-[5-(1-cyanopropan-2-yl)-2-methylanilino]-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[5-(1-cyanopropan-2-yl)-2-methylanilino]-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[5-(1-cyanopropan-2-yl)-2-methylanilino]-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide is Cc1ccc(C(C)CC#N)cc1Nc1nc(C(=O)NS(=O)(=O)N(C)C)co1.
What is the InChIKey of 2-[5-(1-cyanopropan-2-yl)-2-methylanilino]-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide?
The InChIKey is OMEYKNGGUULSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4S/c1-11(7-8-18)13-6-5-12(2)14(9-13)19-17-20-15(10-26-17)16(23)21-27(24,25)22(3)4/h5-6,9-11H,7H2,1-4H3,(H,19,20)(H,21,23).
What are the key properties of 2-[5-(1-cyanopropan-2-yl)-2-methylanilino]-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide?
2-[5-(1-cyanopropan-2-yl)-2-methylanilino]-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-cyanopropan-2-yl)-2-methylanilino]-N-(dimethylsulfamoyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156549586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).