2-[3-(1-ethylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine

C11H20N4O — CID 115081381

IUPAC2-[3-(1-ethylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
SMILESCCN1CCCC1c1noc(CCNC)n1
InChIInChI=1S/C11H20N4O/c1-3-15-8-4-5-9(15)11-13-10(16-14-11)6-7-12-2/h9,12H,3-8H2,1-2H3
InChIKeyRNYUZAUKCNSSBY-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.99
Rot. Bonds5

About 2-[3-(1-ethylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine

2-[3-(1-ethylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine (PubChem CID 115081381) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[3-(1-ethylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[3-(1-ethylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
PubChem CID115081381
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[3-(1-ethylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
SMILESCCN1CCCC1c1noc(CCNC)n1
InChIInChI=1S/C11H20N4O/c1-3-15-8-4-5-9(15)11-13-10(16-14-11)6-7-12-2/h9,12H,3-8H2,1-2H3
InChIKeyRNYUZAUKCNSSBY-UHFFFAOYSA-N
XLogP0.99
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 115081408
N-methyl-2-[3-(1-methylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081354
2-[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 115078058
N-methyl-3-[3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081618
N-[2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 95763147
N-methyl-2-[3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081288
3-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
CID 115082861
N-methyl-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 112680517
N-methyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65422879
2-[3-(1,1-dioxothiolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 115081368
5-ethyl-3-[(2S)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 129490469
3-[(2S)-1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole
CID 95766227

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-ethylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
The IUPAC name of 2-[3-(1-ethylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine (CID 115081381) is 2-[3-(1-ethylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[3-(1-ethylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[3-(1-ethylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine is CCN1CCCC1c1noc(CCNC)n1.
What is the InChIKey of 2-[3-(1-ethylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
The InChIKey is RNYUZAUKCNSSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-15-8-4-5-9(15)11-13-10(16-14-11)6-7-12-2/h9,12H,3-8H2,1-2H3.
What are the key properties of 2-[3-(1-ethylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
2-[3-(1-ethylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine has a molecular weight of 224.31 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-ethylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 115081381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).