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

C13H22N4O2 — CID 104971122

IUPACN-methyl-N-(2-methylbutan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCCC(C)(C)N(C)C(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C13H22N4O2/c1-5-13(2,3)17(4)12(18)10-15-11(19-16-10)9-7-6-8-14-9/h9,14H,5-8H2,1-4H3
InChIKeyPFCQKDMJHQFOFG-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.75
Rot. Bonds4

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

N-methyl-N-(2-methylbutan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 104971122) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-methyl-N-(2-methylbutan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylbutan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID104971122
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-methyl-N-(2-methylbutan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCCC(C)(C)N(C)C(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C13H22N4O2/c1-5-13(2,3)17(4)12(18)10-15-11(19-16-10)9-7-6-8-14-9/h9,14H,5-8H2,1-4H3
InChIKeyPFCQKDMJHQFOFG-UHFFFAOYSA-N
XLogP1.75
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742398
N-tert-butyl-N-prop-2-enyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742471
N-[2-(dimethylamino)ethyl]-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742304
N-butan-2-yl-N-ethyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742116
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-(1-cyclopropylethyl)-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970951
N-methyl-N-(2-methylsulfonylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970940
N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970775
N-methyl-N-phenyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970698
N-[2-ethyl-2-(hydroxymethyl)butyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 106255235
N-cyclopropyl-N-(2-methoxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970930

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylbutan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-methyl-N-(2-methylbutan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 104971122) is N-methyl-N-(2-methylbutan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylbutan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylbutan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is CCC(C)(C)N(C)C(=O)c1noc(C2CCCN2)n1.
What is the InChIKey of N-methyl-N-(2-methylbutan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is PFCQKDMJHQFOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-5-13(2,3)17(4)12(18)10-15-11(19-16-10)9-7-6-8-14-9/h9,14H,5-8H2,1-4H3.
What are the key properties of N-methyl-N-(2-methylbutan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-methyl-N-(2-methylbutan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylbutan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 104971122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).