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

C8H15N3O2 — CID 106814728

IUPAC1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCOCCc1noc(C(C)N)n1
InChIInChI=1S/C8H15N3O2/c1-3-12-5-4-7-10-8(6(2)9)13-11-7/h6H,3-5,9H2,1-2H3
InChIKeyPBSLVJWQIMCMOD-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.67
Rot. Bonds5

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

1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 106814728) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID106814728
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCOCCc1noc(C(C)N)n1
InChIInChI=1S/C8H15N3O2/c1-3-12-5-4-7-10-8(6(2)9)13-11-7/h6H,3-5,9H2,1-2H3
InChIKeyPBSLVJWQIMCMOD-UHFFFAOYSA-N
XLogP0.67
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.67
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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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 106814728) is 1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine is CCOCCc1noc(C(C)N)n1.
What is the InChIKey of 1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is PBSLVJWQIMCMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-3-12-5-4-7-10-8(6(2)9)13-11-7/h6H,3-5,9H2,1-2H3.
What are the key properties of 1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 185.23 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 106814728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).