5-(1-ethylpyrrolidin-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole

C12H20N4O — CID 115077870

IUPAC5-(1-ethylpyrrolidin-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCCN1CCCC1c1nc(C2CCCN2)no1
InChIInChI=1S/C12H20N4O/c1-2-16-8-4-6-10(16)12-14-11(15-17-12)9-5-3-7-13-9/h9-10,13H,2-8H2,1H3
InChIKeyILRMVGQBJFUVJX-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.65
Rot. Bonds3

About 5-(1-ethylpyrrolidin-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole

5-(1-ethylpyrrolidin-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole (PubChem CID 115077870) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-(1-ethylpyrrolidin-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-ethylpyrrolidin-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
PubChem CID115077870
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name5-(1-ethylpyrrolidin-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCCN1CCCC1c1nc(C2CCCN2)no1
InChIInChI=1S/C12H20N4O/c1-2-16-8-4-6-10(16)12-14-11(15-17-12)9-5-3-7-13-9/h9-10,13H,2-8H2,1H3
InChIKeyILRMVGQBJFUVJX-UHFFFAOYSA-N
XLogP1.65
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-ethylpiperidin-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 115078014
5-(1-ethylpiperidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115078020
3-(1-propan-2-ylpyrrolidin-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 115080930
5-(1-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole-3-carbaldehyde
CID 115077815
5-cyclodecyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 123446995
3-bromo-5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 115077953
5-piperidin-2-yl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 115080796
3-cyclopropyl-5-[(2S)-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 77091149
5-tert-butyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317586
3-(2-methylcyclopropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900655
5-butan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317308
1-[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 115078039

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpyrrolidin-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-ethylpyrrolidin-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole (CID 115077870) is 5-(1-ethylpyrrolidin-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-ethylpyrrolidin-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-ethylpyrrolidin-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole is CCN1CCCC1c1nc(C2CCCN2)no1.
What is the InChIKey of 5-(1-ethylpyrrolidin-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The InChIKey is ILRMVGQBJFUVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-16-8-4-6-10(16)12-14-11(15-17-12)9-5-3-7-13-9/h9-10,13H,2-8H2,1H3.
What are the key properties of 5-(1-ethylpyrrolidin-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
5-(1-ethylpyrrolidin-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole has a molecular weight of 236.32 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpyrrolidin-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 115077870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).