N-[[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

C12H22N4O2 — CID 79668683

IUPACN-[[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCCCN1CCOC(c2noc(CNCC)n2)C1
InChIInChI=1S/C12H22N4O2/c1-3-5-16-6-7-17-10(9-16)12-14-11(18-15-12)8-13-4-2/h10,13H,3-9H2,1-2H3
InChIKeyHIVLWZYXWUVVBS-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.96
Rot. Bonds6

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

N-[[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (PubChem CID 79668683) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
PubChem CID79668683
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN-[[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCCCN1CCOC(c2noc(CNCC)n2)C1
InChIInChI=1S/C12H22N4O2/c1-3-5-16-6-7-17-10(9-16)12-14-11(18-15-12)8-13-4-2/h10,13H,3-9H2,1-2H3
InChIKeyHIVLWZYXWUVVBS-UHFFFAOYSA-N
XLogP0.96
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79657503
3,3-dimethyl-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 79664685
1,1,1-trifluoro-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 79664676
2-methyl-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106525813
(1S)-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915391
2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 79669363
4-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950322
2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 79658044
1-[4,6-dimethyl-2-(4-propylmorpholin-2-yl)pyrimidin-5-yl]-N-methylmethanamine
CID 79657347
2-[5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-4-propylmorpholine
CID 79663243
1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 79663029
2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 79669288

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (CID 79668683) is N-[[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is CCCN1CCOC(c2noc(CNCC)n2)C1.
What is the InChIKey of N-[[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The InChIKey is HIVLWZYXWUVVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-3-5-16-6-7-17-10(9-16)12-14-11(18-15-12)8-13-4-2/h10,13H,3-9H2,1-2H3.
What are the key properties of N-[[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
N-[[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine has a molecular weight of 254.33 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 79668683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).