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

C11H18N4O2 — CID 79666735

IUPAC1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
SMILESCCN1CCOC(c2noc(C3(N)CC3)n2)C1
InChIInChI=1S/C11H18N4O2/c1-2-15-5-6-16-8(7-15)9-13-10(17-14-9)11(12)3-4-11/h8H,2-7,12H2,1H3
InChIKeyQBQNARGOHGLISB-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.41
Rot. Bonds3

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

1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine (PubChem CID 79666735) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
PubChem CID79666735
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
SMILESCCN1CCOC(c2noc(C3(N)CC3)n2)C1
InChIInChI=1S/C11H18N4O2/c1-2-15-5-6-16-8(7-15)9-13-10(17-14-9)11(12)3-4-11/h8H,2-7,12H2,1H3
InChIKeyQBQNARGOHGLISB-UHFFFAOYSA-N
XLogP0.41
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine
CID 79665328
4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine
CID 79666653
1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81161835
2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 79666401
2-[5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-4-propylmorpholine
CID 79663243
4-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950322
[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115285009
4-ethyl-2-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 79666239
[2-(4-ethylmorpholin-2-yl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 79669278
[3-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 79665327
2-bromo-4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79665076
[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 115440178

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine?
The IUPAC name of 1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine (CID 79666735) is 1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine is CCN1CCOC(c2noc(C3(N)CC3)n2)C1.
What is the InChIKey of 1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine?
The InChIKey is QBQNARGOHGLISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-15-5-6-16-8(7-15)9-13-10(17-14-9)11(12)3-4-11/h8H,2-7,12H2,1H3.
What are the key properties of 1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine?
1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine has a molecular weight of 238.29 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine is sourced from PubChem (CID 79666735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).