5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid

C13H21N3O4 — CID 79666825

IUPAC5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid
SMILESCCN1CCOC(c2noc(CCCCC(=O)O)n2)C1
InChIInChI=1S/C13H21N3O4/c1-2-16-7-8-19-10(9-16)13-14-11(20-15-13)5-3-4-6-12(17)18/h10H,2-9H2,1H3,(H,17,18)
InChIKeyWEJDBKBHQUZVBF-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.26
Rot. Bonds7

About 5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid

5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid (PubChem CID 79666825) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid.

Molecular Properties

Compound Name5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid
PubChem CID79666825
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid
SMILESCCN1CCOC(c2noc(CCCCC(=O)O)n2)C1
InChIInChI=1S/C13H21N3O4/c1-2-16-7-8-19-10(9-16)13-14-11(20-15-13)5-3-4-6-12(17)18/h10H,2-9H2,1H3,(H,17,18)
InChIKeyWEJDBKBHQUZVBF-UHFFFAOYSA-N
XLogP1.26
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79657503
4-ethyl-2-[5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 79665077
1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 79663029
1,1,1-trifluoro-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 79664676
N-[[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 79668683
1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
CID 79666735
5-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid
CID 65332109
4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 79657972
3-[[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 79665325
[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 79663048
3-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081555
3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 79965718

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid?
The IUPAC name of 5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid (CID 79666825) is 5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid.
What is the SMILES notation for 5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid?
The canonical SMILES for 5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid is CCN1CCOC(c2noc(CCCCC(=O)O)n2)C1.
What is the InChIKey of 5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid?
The InChIKey is WEJDBKBHQUZVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-2-16-7-8-19-10(9-16)13-14-11(20-15-13)5-3-4-6-12(17)18/h10H,2-9H2,1H3,(H,17,18).
What are the key properties of 5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid?
5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid has a molecular weight of 283.33 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid is sourced from PubChem (CID 79666825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).