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

C8H15N3O2 — CID 106814794

IUPAC2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCOCCc1noc(CCN)n1
InChIInChI=1S/C8H15N3O2/c1-2-12-6-4-7-10-8(3-5-9)13-11-7/h2-6,9H2,1H3
InChIKeyBTVKYFRXYVOXEV-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.15
Rot. Bonds6

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

2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 106814794) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID106814794
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCOCCc1noc(CCN)n1
InChIInChI=1S/C8H15N3O2/c1-2-12-6-4-7-10-8(3-5-9)13-11-7/h2-6,9H2,1H3
InChIKeyBTVKYFRXYVOXEV-UHFFFAOYSA-N
XLogP0.15
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.15
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-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-ethylpentan-1-amine
CID 106814497
2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 61412753
[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
2-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 79002327
1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 106814715
2-[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 103211755
2-[4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 106814604
2-[[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-ethylbutanoic acid
CID 106814863
N-[[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 106814599
4-chloro-N-[[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 106814591
1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106814728

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 106814794) is 2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine is CCOCCc1noc(CCN)n1.
What is the InChIKey of 2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is BTVKYFRXYVOXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-2-12-6-4-7-10-8(3-5-9)13-11-7/h2-6,9H2,1H3.
What are the key properties of 2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 185.23 g/mol, XLogP of 0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 106814794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).