2-morpholin-4-yl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine

C13H22N4O3 — CID 104636221

IUPAC2-morpholin-4-yl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNC(CN1CCOCC1)c1noc(C2CCCOC2)n1
InChIInChI=1S/C13H22N4O3/c14-11(8-17-3-6-18-7-4-17)12-15-13(20-16-12)10-2-1-5-19-9-10/h10-11H,1-9,14H2
InChIKeyKIBJZGCHPBRIDF-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.30
Rot. Bonds4

About 2-morpholin-4-yl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine

2-morpholin-4-yl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 104636221) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-morpholin-4-yl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID104636221
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name2-morpholin-4-yl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNC(CN1CCOCC1)c1noc(C2CCCOC2)n1
InChIInChI=1S/C13H22N4O3/c14-11(8-17-3-6-18-7-4-17)12-15-13(20-16-12)10-2-1-5-19-9-10/h10-11H,1-9,14H2
InChIKeyKIBJZGCHPBRIDF-UHFFFAOYSA-N
XLogP0.30
TPSA86.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-morpholin-4-yl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 104636221) is 2-morpholin-4-yl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-morpholin-4-yl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-morpholin-4-yl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine is NC(CN1CCOCC1)c1noc(C2CCCOC2)n1.
What is the InChIKey of 2-morpholin-4-yl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is KIBJZGCHPBRIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c14-11(8-17-3-6-18-7-4-17)12-15-13(20-16-12)10-2-1-5-19-9-10/h10-11H,1-9,14H2.
What are the key properties of 2-morpholin-4-yl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-morpholin-4-yl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 282.34 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 104636221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).