N-[2-(dimethylamino)ethyl]-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

C12H21N5O2 — CID 102742304

IUPACN-[2-(dimethylamino)ethyl]-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCN(C)CCN(C)C(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C12H21N5O2/c1-16(2)7-8-17(3)12(18)10-14-11(19-15-10)9-5-4-6-13-9/h9,13H,4-8H2,1-3H3
InChIKeyNYSJYDKSOWKSMC-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.13
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

N-[2-(dimethylamino)ethyl]-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102742304) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102742304
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN-[2-(dimethylamino)ethyl]-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCN(C)CCN(C)C(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C12H21N5O2/c1-16(2)7-8-17(3)12(18)10-14-11(19-15-10)9-5-4-6-13-9/h9,13H,4-8H2,1-3H3
InChIKeyNYSJYDKSOWKSMC-UHFFFAOYSA-N
XLogP0.13
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-(2-methylsulfonylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970940
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-ethyl-N-(2-hydroxy-2-methylpropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742398
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-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-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970775
(4-ethylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
CID 104971272

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 102742304) is N-[2-(dimethylamino)ethyl]-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is CN(C)CCN(C)C(=O)c1noc(C2CCCN2)n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is NYSJYDKSOWKSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-16(2)7-8-17(3)12(18)10-14-11(19-15-10)9-5-4-6-13-9/h9,13H,4-8H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-[2-(dimethylamino)ethyl]-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102742304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).