N-methyl-N-(2-methylsulfonylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

C11H18N4O4S — CID 104970940

IUPACN-methyl-N-(2-methylsulfonylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCN(CCS(C)(=O)=O)C(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C11H18N4O4S/c1-15(6-7-20(2,17)18)11(16)9-13-10(19-14-9)8-4-3-5-12-8/h8,12H,3-7H2,1-2H3
InChIKeyVRKLQJTZJYLUOW-UHFFFAOYSA-N
MW302.36 g/mol
LogP-0.39
Rot. Bonds5

About N-methyl-N-(2-methylsulfonylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

N-methyl-N-(2-methylsulfonylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 104970940) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfonylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfonylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID104970940
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC NameN-methyl-N-(2-methylsulfonylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCN(CCS(C)(=O)=O)C(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C11H18N4O4S/c1-15(6-7-20(2,17)18)11(16)9-13-10(19-14-9)8-4-3-5-12-8/h8,12H,3-7H2,1-2H3
InChIKeyVRKLQJTZJYLUOW-UHFFFAOYSA-N
XLogP-0.39
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742304
N-methyl-N-[(2-methylcyclopropyl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742310
N,N-bis(2-hydroxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742170
N-methyl-N-(2-methylbutan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971122
N-(1-cyclopropylethyl)-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970951
N-cyclopropyl-N-(2-methoxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970930
N-[2-(methanesulfonamido)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970863
N-[2-(ethylsulfamoyl)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971124
N-tert-butyl-N-prop-2-enyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742471
N-butan-2-yl-N-ethyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742116
N-methyl-N-phenyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970698
N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742398

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 104970940) is N-methyl-N-(2-methylsulfonylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylsulfonylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylsulfonylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is CN(CCS(C)(=O)=O)C(=O)c1noc(C2CCCN2)n1.
What is the InChIKey of N-methyl-N-(2-methylsulfonylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is VRKLQJTZJYLUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-15(6-7-20(2,17)18)11(16)9-13-10(19-14-9)8-4-3-5-12-8/h8,12H,3-7H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylsulfonylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-methyl-N-(2-methylsulfonylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 302.36 g/mol, XLogP of -0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfonylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 104970940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).