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

C15H21N5O — CID 116807771

IUPAC2-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
SMILESCN1CCN(c2noc(-c3ccc(CCN)cc3)n2)CC1
InChIInChI=1S/C15H21N5O/c1-19-8-10-20(11-9-19)15-17-14(21-18-15)13-4-2-12(3-5-13)6-7-16/h2-5H,6-11,16H2,1H3
InChIKeyMCFKHOMODISJLI-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.99
Rot. Bonds4

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

2-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine (PubChem CID 116807771) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
PubChem CID116807771
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
SMILESCN1CCN(c2noc(-c3ccc(CCN)cc3)n2)CC1
InChIInChI=1S/C15H21N5O/c1-19-8-10-20(11-9-19)15-17-14(21-18-15)13-4-2-12(3-5-13)6-7-16/h2-5H,6-11,16H2,1H3
InChIKeyMCFKHOMODISJLI-UHFFFAOYSA-N
XLogP0.99
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106527061
6-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 116807815
5-chloro-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116807852
2-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 43665687
2-[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 82007703
2-[4-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 62500649
3-[4-(3-methylbutyl)piperazin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482061
4-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 116809545
2-[4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 106814604
2-[4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 61392809
2-[4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 104788960
2-[4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 65415299

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
The IUPAC name of 2-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine (CID 116807771) is 2-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
The canonical SMILES for 2-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine is CN1CCN(c2noc(-c3ccc(CCN)cc3)n2)CC1.
What is the InChIKey of 2-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
The InChIKey is MCFKHOMODISJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-19-8-10-20(11-9-19)15-17-14(21-18-15)13-4-2-12(3-5-13)6-7-16/h2-5H,6-11,16H2,1H3.
What are the key properties of 2-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
2-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine has a molecular weight of 287.37 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine is sourced from PubChem (CID 116807771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).