5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-ethylpentan-1-amine

C13H25N3O2 — CID 106814497

IUPAC5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-ethylpentan-1-amine
SMILESCCOCCc1noc(CCC(CC)CCN)n1
InChIInChI=1S/C13H25N3O2/c1-3-11(7-9-14)5-6-13-15-12(16-18-13)8-10-17-4-2/h11H,3-10,14H2,1-2H3
InChIKeyVXSZBKZGBRYWTH-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.96
Rot. Bonds10

About 5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-ethylpentan-1-amine

5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-ethylpentan-1-amine (PubChem CID 106814497) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-ethylpentan-1-amine.

Molecular Properties

Compound Name5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-ethylpentan-1-amine
PubChem CID106814497
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-ethylpentan-1-amine
SMILESCCOCCc1noc(CCC(CC)CCN)n1
InChIInChI=1S/C13H25N3O2/c1-3-11(7-9-14)5-6-13-15-12(16-18-13)8-10-17-4-2/h11H,3-10,14H2,1-2H3
InChIKeyVXSZBKZGBRYWTH-UHFFFAOYSA-N
XLogP1.96
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-3-ethylpentan-1-amine
CID 103146362
2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106814794
1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 106814715
[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660353
4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 106815759
4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 102926746
N-[[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 106814599
2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 61412753
1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106814728
2-[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 103211755
2-amino-1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 106814810
3-ethyl-5-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 115385181

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-ethylpentan-1-amine?
The IUPAC name of 5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-ethylpentan-1-amine (CID 106814497) is 5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-ethylpentan-1-amine.
What is the SMILES notation for 5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-ethylpentan-1-amine?
The canonical SMILES for 5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-ethylpentan-1-amine is CCOCCc1noc(CCC(CC)CCN)n1.
What is the InChIKey of 5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-ethylpentan-1-amine?
The InChIKey is VXSZBKZGBRYWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-11(7-9-14)5-6-13-15-12(16-18-13)8-10-17-4-2/h11H,3-10,14H2,1-2H3.
What are the key properties of 5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-ethylpentan-1-amine?
5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-ethylpentan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 1.96, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-ethylpentan-1-amine is sourced from PubChem (CID 106814497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).