2-ethoxy-1-(5-heptyl-1,2,4-oxadiazol-3-yl)ethanamine

C13H25N3O2 — CID 113435433

IUPAC2-ethoxy-1-(5-heptyl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCCCCCCCc1nc(C(N)COCC)no1
InChIInChI=1S/C13H25N3O2/c1-3-5-6-7-8-9-12-15-13(16-18-12)11(14)10-17-4-2/h11H,3-10,14H2,1-2H3
InChIKeyOKUOSANBWUPUKT-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.62
Rot. Bonds10

About 2-ethoxy-1-(5-heptyl-1,2,4-oxadiazol-3-yl)ethanamine

2-ethoxy-1-(5-heptyl-1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 113435433) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-ethoxy-1-(5-heptyl-1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-ethoxy-1-(5-heptyl-1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID113435433
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-ethoxy-1-(5-heptyl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCCCCCCCc1nc(C(N)COCC)no1
InChIInChI=1S/C13H25N3O2/c1-3-5-6-7-8-9-12-15-13(16-18-12)11(14)10-17-4-2/h11H,3-10,14H2,1-2H3
InChIKeyOKUOSANBWUPUKT-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
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

2-ethoxy-1-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633999
1-(5-octyl-1,2,4-oxadiazol-3-yl)butan-1-amine
CID 65428528
2-amino-2-(5-nonyl-1,2,4-oxadiazol-3-yl)ethanol
CID 104633234
2-ethoxy-1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 113435450
1-(5-octyl-1,2,4-oxadiazol-3-yl)ethanol
CID 102660835
1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 114212437
3-(1-chloropropyl)-5-octyl-1,2,4-oxadiazole
CID 103095587
2-ethoxy-1-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633922
2-ethoxy-1-[5-(3-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633955
1-(5-heptyl-1,2,4-oxadiazol-3-yl)butan-1-ol
CID 104704321
2-ethoxy-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634060
1-(5-ethyl-1,2,4-oxadiazol-3-yl)hexan-1-amine
CID 43559341

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(5-heptyl-1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of 2-ethoxy-1-(5-heptyl-1,2,4-oxadiazol-3-yl)ethanamine (CID 113435433) is 2-ethoxy-1-(5-heptyl-1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for 2-ethoxy-1-(5-heptyl-1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for 2-ethoxy-1-(5-heptyl-1,2,4-oxadiazol-3-yl)ethanamine is CCCCCCCc1nc(C(N)COCC)no1.
What is the InChIKey of 2-ethoxy-1-(5-heptyl-1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is OKUOSANBWUPUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-5-6-7-8-9-12-15-13(16-18-12)11(14)10-17-4-2/h11H,3-10,14H2,1-2H3.
What are the key properties of 2-ethoxy-1-(5-heptyl-1,2,4-oxadiazol-3-yl)ethanamine?
2-ethoxy-1-(5-heptyl-1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 255.36 g/mol, XLogP of 2.62, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(5-heptyl-1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 113435433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).