2-(2,5-dimethylanilino)-N-pyrrolidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide

C16H20N4O4S — CID 156549878

IUPAC2-(2,5-dimethylanilino)-N-pyrrolidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C)c(Nc2nc(C(=O)NS(=O)(=O)N3CCCC3)co2)c1
InChIInChI=1S/C16H20N4O4S/c1-11-5-6-12(2)13(9-11)17-16-18-14(10-24-16)15(21)19-25(22,23)20-7-3-4-8-20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyCNHCYIKHYLZDOU-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.11
Rot. Bonds5

About 2-(2,5-dimethylanilino)-N-pyrrolidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide

2-(2,5-dimethylanilino)-N-pyrrolidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide (PubChem CID 156549878) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-(2,5-dimethylanilino)-N-pyrrolidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethylanilino)-N-pyrrolidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide
PubChem CID156549878
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name2-(2,5-dimethylanilino)-N-pyrrolidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C)c(Nc2nc(C(=O)NS(=O)(=O)N3CCCC3)co2)c1
InChIInChI=1S/C16H20N4O4S/c1-11-5-6-12(2)13(9-11)17-16-18-14(10-24-16)15(21)19-25(22,23)20-7-3-4-8-20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyCNHCYIKHYLZDOU-UHFFFAOYSA-N
XLogP2.11
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(4-propylsulfonyl-1,4-diazepan-1-yl)sulfonyl]-1,3-oxazole-4-carboxamide
CID 156549002
N-[[7-(cyclobutylmethoxymethyl)-1,4-oxazepan-4-yl]sulfonyl]-2-(2,5-dimethylanilino)-1,3-oxazole-4-carboxamide
CID 156549691
2-[2-methyl-5-(2,2,2-trifluoroethyl)anilino]-N-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide
CID 156549487
2-[5-(difluoromethyl)-2-methylanilino]-N-[(4-propylsulfonyl-1,4-diazepan-1-yl)sulfonyl]-1,3-oxazole-4-carboxamide
CID 170445663
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-(3-methylpyrrolidin-1-yl)sulfonyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
CID 156549861
N-[(7-cyano-1,4-oxazepan-4-yl)sulfonyl]-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
CID 156549667
2-[[1,3-di(propan-2-yl)pyrazol-4-yl]amino]-N-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide
CID 156549538
N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
CID 156549717
2-(4-fluoro-2,5-dimethylanilino)-N-[[7-(propan-2-ylsulfonylmethyl)-1,4-oxazepan-4-yl]sulfonyl]-1,3-oxazole-4-carboxamide
CID 156549000

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylanilino)-N-pyrrolidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2,5-dimethylanilino)-N-pyrrolidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide (CID 156549878) is 2-(2,5-dimethylanilino)-N-pyrrolidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2,5-dimethylanilino)-N-pyrrolidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2,5-dimethylanilino)-N-pyrrolidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide is Cc1ccc(C)c(Nc2nc(C(=O)NS(=O)(=O)N3CCCC3)co2)c1.
What is the InChIKey of 2-(2,5-dimethylanilino)-N-pyrrolidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide?
The InChIKey is CNHCYIKHYLZDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-11-5-6-12(2)13(9-11)17-16-18-14(10-24-16)15(21)19-25(22,23)20-7-3-4-8-20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18)(H,19,21).
What are the key properties of 2-(2,5-dimethylanilino)-N-pyrrolidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide?
2-(2,5-dimethylanilino)-N-pyrrolidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylanilino)-N-pyrrolidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156549878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).