2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

C13H24N4O2 — CID 79666401

IUPAC2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCCC(CN)c1nc(C2CN(CC)CCO2)no1
InChIInChI=1S/C13H24N4O2/c1-3-5-10(8-14)13-15-12(16-19-13)11-9-17(4-2)6-7-18-11/h10-11H,3-9,14H2,1-2H3
InChIKeyNPBURDPAGPISER-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.31
Rot. Bonds6

About 2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 79666401) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID79666401
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCCC(CN)c1nc(C2CN(CC)CCO2)no1
InChIInChI=1S/C13H24N4O2/c1-3-5-10(8-14)13-15-12(16-19-13)11-9-17(4-2)6-7-18-11/h10-11H,3-9,14H2,1-2H3
InChIKeyNPBURDPAGPISER-UHFFFAOYSA-N
XLogP1.31
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 79669363
2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 79077765
(1S)-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915391
[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 79663048
[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115285009
2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 79658044
1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
CID 79666735
1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 79077645
2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 65222397
[4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324970
1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 79663029
[2-(4-ethylmorpholin-2-yl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 79669278

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 79666401) is 2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is CCCC(CN)c1nc(C2CN(CC)CCO2)no1.
What is the InChIKey of 2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is NPBURDPAGPISER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-3-5-10(8-14)13-15-12(16-19-13)11-9-17(4-2)6-7-18-11/h10-11H,3-9,14H2,1-2H3.
What are the key properties of 2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 268.36 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 79666401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).