N-ethyl-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine

C11H21N5O — CID 106967595

IUPACN-ethyl-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCNC(C)c1nnc(N2CCN(C)CC2)o1
InChIInChI=1S/C11H21N5O/c1-4-12-9(2)10-13-14-11(17-10)16-7-5-15(3)6-8-16/h9,12H,4-8H2,1-3H3
InChIKeyAAWPCIXPBKBGSI-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.49
Rot. Bonds4

About N-ethyl-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine

N-ethyl-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 106967595) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N-ethyl-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID106967595
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN-ethyl-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCNC(C)c1nnc(N2CCN(C)CC2)o1
InChIInChI=1S/C11H21N5O/c1-4-12-9(2)10-13-14-11(17-10)16-7-5-15(3)6-8-16/h9,12H,4-8H2,1-3H3
InChIKeyAAWPCIXPBKBGSI-UHFFFAOYSA-N
XLogP0.49
TPSA57.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 106960588
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-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanol
CID 106966016
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-ethyl-1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106961781
N-[1-[5-(4,4-dimethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 106961747
1-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 106971050
N-[1-[5-(2-methylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 106967744
N-[1-[5-(3-propylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 106964294
3-[1-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 106960724

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 106967595) is N-ethyl-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine is CCNC(C)c1nnc(N2CCN(C)CC2)o1.
What is the InChIKey of N-ethyl-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is AAWPCIXPBKBGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-4-12-9(2)10-13-14-11(17-10)16-7-5-15(3)6-8-16/h9,12H,4-8H2,1-3H3.
What are the key properties of N-ethyl-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
N-ethyl-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 239.32 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 106967595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).