1-[5-(3,3-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine

C12H22N4O — CID 106963222

IUPAC1-[5-(3,3-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnc(N2CCC(C)(C)C2)o1
InChIInChI=1S/C12H22N4O/c1-5-13-9(2)10-14-15-11(17-10)16-7-6-12(3,4)8-16/h9,13H,5-8H2,1-4H3
InChIKeyMSCIPYKQTXAXGG-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.98
Rot. Bonds4

About 1-[5-(3,3-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine

1-[5-(3,3-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine (PubChem CID 106963222) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[5-(3,3-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-(3,3-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
PubChem CID106963222
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[5-(3,3-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnc(N2CCC(C)(C)C2)o1
InChIInChI=1S/C12H22N4O/c1-5-13-9(2)10-14-15-11(17-10)16-7-6-12(3,4)8-16/h9,13H,5-8H2,1-4H3
InChIKeyMSCIPYKQTXAXGG-UHFFFAOYSA-N
XLogP1.98
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(3,3-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[5-(4,4-dimethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 106961747
N-ethyl-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106967595
3-methyl-1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol
CID 106965217
1-[5-(3,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 106965329
1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 106960588
1-[5-(3-tert-butylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 106964319
1-[5-(4,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106960819
1-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 106971050
2-[4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanol
CID 106966016
N-[1-[5-(4-propan-2-ylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 106962236
N-ethyl-1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106961781
N-[1-[5-(2-methylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 106967744

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,3-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
The IUPAC name of 1-[5-(3,3-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine (CID 106963222) is 1-[5-(3,3-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-(3,3-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
The canonical SMILES for 1-[5-(3,3-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine is CCNC(C)c1nnc(N2CCC(C)(C)C2)o1.
What is the InChIKey of 1-[5-(3,3-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
The InChIKey is MSCIPYKQTXAXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-13-9(2)10-14-15-11(17-10)16-7-6-12(3,4)8-16/h9,13H,5-8H2,1-4H3.
What are the key properties of 1-[5-(3,3-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
1-[5-(3,3-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine has a molecular weight of 238.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,3-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine is sourced from PubChem (CID 106963222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).