2-[4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanol

C13H25N5O2 — CID 106966016

IUPAC2-[4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanol
SMILESCCCNC(C)c1nnc(N2CCN(CCO)CC2)o1
InChIInChI=1S/C13H25N5O2/c1-3-4-14-11(2)12-15-16-13(20-12)18-7-5-17(6-8-18)9-10-19/h11,14,19H,3-10H2,1-2H3
InChIKeySZLMLSYNHWJOPZ-UHFFFAOYSA-N
MW283.38 g/mol
LogP0.24
Rot. Bonds7

About 2-[4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanol

2-[4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanol (PubChem CID 106966016) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanol
PubChem CID106966016
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC Name2-[4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanol
SMILESCCCNC(C)c1nnc(N2CCN(CCO)CC2)o1
InChIInChI=1S/C13H25N5O2/c1-3-4-14-11(2)12-15-16-13(20-12)18-7-5-17(6-8-18)9-10-19/h11,14,19H,3-10H2,1-2H3
InChIKeySZLMLSYNHWJOPZ-UHFFFAOYSA-N
XLogP0.24
TPSA77.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
N-ethyl-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106967595
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
3-methyl-1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol
CID 106965217
N-[1-[5-(3-propylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 106964294
N-[1-[5-(2-methylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 106967744
N-[1-[5-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 106962292
3-[1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 106960720
[4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]morpholin-3-yl]methanol
CID 106965567
1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 106967208
3,3-dimethyl-4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-2-one
CID 106961238

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanol (CID 106966016) is 2-[4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanol is CCCNC(C)c1nnc(N2CCN(CCO)CC2)o1.
What is the InChIKey of 2-[4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanol?
The InChIKey is SZLMLSYNHWJOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-3-4-14-11(2)12-15-16-13(20-12)18-7-5-17(6-8-18)9-10-19/h11,14,19H,3-10H2,1-2H3.
What are the key properties of 2-[4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanol?
2-[4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanol has a molecular weight of 283.38 g/mol, XLogP of 0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 106966016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).