N-methyl-1-[3-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]ethanamine

C11H20N4O — CID 115081238

IUPACN-methyl-1-[3-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCNC(C)c1nc(CCN2CCCC2)no1
InChIInChI=1S/C11H20N4O/c1-9(12-2)11-13-10(14-16-11)5-8-15-6-3-4-7-15/h9,12H,3-8H2,1-2H3
InChIKeyVXURJKPVXXMSQF-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.99
Rot. Bonds5

About N-methyl-1-[3-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]ethanamine

N-methyl-1-[3-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 115081238) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-methyl-1-[3-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID115081238
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-methyl-1-[3-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCNC(C)c1nc(CCN2CCCC2)no1
InChIInChI=1S/C11H20N4O/c1-9(12-2)11-13-10(14-16-11)5-8-15-6-3-4-7-15/h9,12H,3-8H2,1-2H3
InChIKeyVXURJKPVXXMSQF-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-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 115081200
(1S)-N-methyl-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 130563986
N-methyl-2-[3-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081538
N-methyl-2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115079552
3-propyl-5-[(1S)-1-(4-propylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95285928
1-[2-(azepan-1-yl)ethyl]-1-methyl-3-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
CID 122570318
N-methyl-1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081192
N-methyl-1-[3-(thiolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081018
2-[5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115079506
N,N-dimethyl-5-[1-(methylamino)ethyl]-1,2,4-oxadiazol-3-amine
CID 116799690
5-propan-2-yl-3-[[4-(2-pyridin-2-ylethyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 154748054
3-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 95283793

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[3-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 115081238) is N-methyl-1-[3-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[3-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[3-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]ethanamine is CNC(C)c1nc(CCN2CCCC2)no1.
What is the InChIKey of N-methyl-1-[3-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is VXURJKPVXXMSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9(12-2)11-13-10(14-16-11)5-8-15-6-3-4-7-15/h9,12H,3-8H2,1-2H3.
What are the key properties of N-methyl-1-[3-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
N-methyl-1-[3-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]ethanamine 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 N-methyl-1-[3-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 115081238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).