1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-yl]-N-ethylethanamine

C14H28N6O — CID 106960588

IUPAC1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnc(N2CCN(CCN(C)C)CC2)o1
InChIInChI=1S/C14H28N6O/c1-5-15-12(2)13-16-17-14(21-13)20-10-8-19(9-11-20)7-6-18(3)4/h12,15H,5-11H2,1-4H3
InChIKeyNQRWZGNBHHJGOB-UHFFFAOYSA-N
MW296.42 g/mol
LogP0.42
Rot. Bonds7

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

1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-yl]-N-ethylethanamine (PubChem CID 106960588) has the molecular formula C14H28N6O and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
PubChem CID106960588
Molecular FormulaC14H28N6O
Molecular Weight296.42 g/mol
Exact Mass296.23
IUPAC Name1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnc(N2CCN(CCN(C)C)CC2)o1
InChIInChI=1S/C14H28N6O/c1-5-15-12(2)13-16-17-14(21-13)20-10-8-19(9-11-20)7-6-18(3)4/h12,15H,5-11H2,1-4H3
InChIKeyNQRWZGNBHHJGOB-UHFFFAOYSA-N
XLogP0.42
TPSA60.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106967595
2-[4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanol
CID 106966016
1-[5-(3,3-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 106963222
1-[5-(3,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 106965329
2-[4-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 106957559
1-[5-(3-tert-butylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 106964319
N-[1-[5-(4-propan-2-ylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 106962236
N-[1-[5-(4,4-dimethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 106961747
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-methylamino]ethanol
CID 106969645
1-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 106971050
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-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
The IUPAC name of 1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-yl]-N-ethylethanamine (CID 106960588) is 1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
The canonical SMILES for 1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-yl]-N-ethylethanamine is CCNC(C)c1nnc(N2CCN(CCN(C)C)CC2)o1.
What is the InChIKey of 1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
The InChIKey is NQRWZGNBHHJGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6O/c1-5-15-12(2)13-16-17-14(21-13)20-10-8-19(9-11-20)7-6-18(3)4/h12,15H,5-11H2,1-4H3.
What are the key properties of 1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-yl]-N-ethylethanamine has a molecular weight of 296.42 g/mol, XLogP of 0.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-yl]-N-ethylethanamine is sourced from PubChem (CID 106960588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).