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

C13H22N4O3 — CID 79666653

IUPAC4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine
SMILESCCN1CCOC(c2noc(C3(C)COCC3N)n2)C1
InChIInChI=1S/C13H22N4O3/c1-3-17-4-5-19-9(6-17)11-15-12(20-16-11)13(2)8-18-7-10(13)14/h9-10H,3-8,14H2,1-2H3
InChIKeyTXWMUJWZDWKDHF-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.08
Rot. Bonds3

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

4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine (PubChem CID 79666653) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine.

Molecular Properties

Compound Name4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine
PubChem CID79666653
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine
SMILESCCN1CCOC(c2noc(C3(C)COCC3N)n2)C1
InChIInChI=1S/C13H22N4O3/c1-3-17-4-5-19-9(6-17)11-15-12(20-16-11)13(2)8-18-7-10(13)14/h9-10H,3-8,14H2,1-2H3
InChIKeyTXWMUJWZDWKDHF-UHFFFAOYSA-N
XLogP0.08
TPSA86.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine with MolForge

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Related Compounds

1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
CID 79666735
1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine
CID 79665328
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine
CID 66248370
4-(3-butyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine
CID 79405959
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
2-bromo-4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79665076
4-bromo-2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79665313
4-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950322
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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine?
The IUPAC name of 4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine (CID 79666653) is 4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine.
What is the SMILES notation for 4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine?
The canonical SMILES for 4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine is CCN1CCOC(c2noc(C3(C)COCC3N)n2)C1.
What is the InChIKey of 4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine?
The InChIKey is TXWMUJWZDWKDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-3-17-4-5-19-9(6-17)11-15-12(20-16-11)13(2)8-18-7-10(13)14/h9-10H,3-8,14H2,1-2H3.
What are the key properties of 4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine?
4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine has a molecular weight of 282.34 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine is sourced from PubChem (CID 79666653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).