2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine

C13H24N4O2 — CID 79669363

IUPAC2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCCN1CCOC(c2noc(C(CC)CN)n2)C1
InChIInChI=1S/C13H24N4O2/c1-3-5-17-6-7-18-11(9-17)12-15-13(19-16-12)10(4-2)8-14/h10-11H,3-9,14H2,1-2H3
InChIKeyJYDRAFZLTQFPQR-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.31
Rot. Bonds6

About 2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine

2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine (PubChem CID 79669363) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
PubChem CID79669363
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCCN1CCOC(c2noc(C(CC)CN)n2)C1
InChIInChI=1S/C13H24N4O2/c1-3-5-17-6-7-18-11(9-17)12-15-13(19-16-12)10(4-2)8-14/h10-11H,3-9,14H2,1-2H3
InChIKeyJYDRAFZLTQFPQR-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

(1S)-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915391
2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 79666401
2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 79658044
3,3-dimethyl-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 79664685
N-[[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 79668683
1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 79077645
3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79657503
2-methyl-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106525813
2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 79669288
2-[5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-4-propylmorpholine
CID 79663243
1,1,1-trifluoro-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 79664676
4-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950322

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The IUPAC name of 2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine (CID 79669363) is 2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine.
What is the SMILES notation for 2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The canonical SMILES for 2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine is CCCN1CCOC(c2noc(C(CC)CN)n2)C1.
What is the InChIKey of 2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The InChIKey is JYDRAFZLTQFPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-3-5-17-6-7-18-11(9-17)12-15-13(19-16-12)10(4-2)8-14/h10-11H,3-9,14H2,1-2H3.
What are the key properties of 2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-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-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine is sourced from PubChem (CID 79669363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).