3-[[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline

C15H20N4O2 — CID 79665325

IUPAC3-[[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline
SMILESCCN1CCOC(c2noc(Cc3cccc(N)c3)n2)C1
InChIInChI=1S/C15H20N4O2/c1-2-19-6-7-20-13(10-19)15-17-14(21-18-15)9-11-4-3-5-12(16)8-11/h3-5,8,13H,2,6-7,9-10,16H2,1H3
InChIKeyZDLLPNNIABCZIT-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.64
Rot. Bonds4

About 3-[[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline

3-[[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline (PubChem CID 79665325) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline.

Molecular Properties

Compound Name3-[[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline
PubChem CID79665325
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-[[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline
SMILESCCN1CCOC(c2noc(Cc3cccc(N)c3)n2)C1
InChIInChI=1S/C15H20N4O2/c1-2-19-6-7-20-13(10-19)15-17-14(21-18-15)9-11-4-3-5-12(16)8-11/h3-5,8,13H,2,6-7,9-10,16H2,1H3
InChIKeyZDLLPNNIABCZIT-UHFFFAOYSA-N
XLogP1.64
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[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
3-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 65345651
5-bromo-2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79665321
4-bromo-2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79665313
2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904167
2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(3-methylphenyl)methyl]morpholine
CID 75482031
2-(4-ethylmorpholin-2-yl)-6-methylpyrimidin-4-amine
CID 79669506
[4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324970
1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
CID 79666735
[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 79663048
5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid
CID 79666825

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline?
The IUPAC name of 3-[[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline (CID 79665325) is 3-[[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline.
What is the SMILES notation for 3-[[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline?
The canonical SMILES for 3-[[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline is CCN1CCOC(c2noc(Cc3cccc(N)c3)n2)C1.
What is the InChIKey of 3-[[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline?
The InChIKey is ZDLLPNNIABCZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-19-6-7-20-13(10-19)15-17-14(21-18-15)9-11-4-3-5-12(16)8-11/h3-5,8,13H,2,6-7,9-10,16H2,1H3.
What are the key properties of 3-[[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline?
3-[[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline has a molecular weight of 288.35 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline is sourced from PubChem (CID 79665325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).