(2,2-dimethylpyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone

C13H20N4O2 — CID 104971095

IUPAC(2,2-dimethylpyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
SMILESCC1(C)CCCN1C(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C13H20N4O2/c1-13(2)6-4-8-17(13)12(18)10-15-11(19-16-10)9-5-3-7-14-9/h9,14H,3-8H2,1-2H3
InChIKeyLIIQCGLGCSJHON-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.51
Rot. Bonds2

About (2,2-dimethylpyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone

(2,2-dimethylpyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone (PubChem CID 104971095) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (2,2-dimethylpyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylpyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
PubChem CID104971095
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(2,2-dimethylpyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
SMILESCC1(C)CCCN1C(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C13H20N4O2/c1-13(2)6-4-8-17(13)12(18)10-15-11(19-16-10)9-5-3-7-14-9/h9,14H,3-8H2,1-2H3
InChIKeyLIIQCGLGCSJHON-UHFFFAOYSA-N
XLogP1.51
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-hydroxy-4-methylazepan-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
CID 107404418
(2-methylazepan-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
CID 104971158
(4-propan-2-ylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
CID 104971307
(4-ethylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
CID 104971272
8-oxa-3-azabicyclo[3.2.1]octan-3-yl-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
CID 104971174
(3-methoxypyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
CID 103532991
(2-methylthiomorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
CID 104971111
1-(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)piperidine-2-carboxamide
CID 104970814
(5-ethyl-2-methylmorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
CID 104970806
N-(3-methyloxolan-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971411
1-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 102742347
N-(1-ethylcyclobutyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971197

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?
The IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone (CID 104971095) is (2,2-dimethylpyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone.
What is the SMILES notation for (2,2-dimethylpyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?
The canonical SMILES for (2,2-dimethylpyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone is CC1(C)CCCN1C(=O)c1noc(C2CCCN2)n1.
What is the InChIKey of (2,2-dimethylpyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?
The InChIKey is LIIQCGLGCSJHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2)6-4-8-17(13)12(18)10-15-11(19-16-10)9-5-3-7-14-9/h9,14H,3-8H2,1-2H3.
What are the key properties of (2,2-dimethylpyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?
(2,2-dimethylpyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone has a molecular weight of 264.33 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone is sourced from PubChem (CID 104971095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).