1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine

C11H20N4O2 — CID 79657430

IUPAC1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(N)c1nc(C2CN(C(C)C)CCO2)no1
InChIInChI=1S/C11H20N4O2/c1-7(2)15-4-5-16-9(6-15)10-13-11(8(3)12)17-14-10/h7-9H,4-6,12H2,1-3H3
InChIKeyHZULHOXAJOXYJH-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.87
Rot. Bonds3

About 1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine

1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 79657430) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID79657430
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(N)c1nc(C2CN(C(C)C)CCO2)no1
InChIInChI=1S/C11H20N4O2/c1-7(2)15-4-5-16-9(6-15)10-13-11(8(3)12)17-14-10/h7-9H,4-6,12H2,1-3H3
InChIKeyHZULHOXAJOXYJH-UHFFFAOYSA-N
XLogP0.87
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 79657430) is 1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine is CC(N)c1nc(C2CN(C(C)C)CCO2)no1.
What is the InChIKey of 1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is HZULHOXAJOXYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-7(2)15-4-5-16-9(6-15)10-13-11(8(3)12)17-14-10/h7-9H,4-6,12H2,1-3H3.
What are the key properties of 1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 240.31 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 79657430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).