2-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

C8H15N3O2 — CID 60976750

IUPAC2-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCCOCCNCc1nc(C)no1
InChIInChI=1S/C8H15N3O2/c1-3-12-5-4-9-6-8-10-7(2)11-13-8/h9H,3-6H2,1-2H3
InChIKeySSMGMKPPRWPXOU-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.50
Rot. Bonds6

About 2-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

2-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (PubChem CID 60976750) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
PubChem CID60976750
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name2-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCCOCCNCc1nc(C)no1
InChIInChI=1S/C8H15N3O2/c1-3-12-5-4-9-6-8-10-7(2)11-13-8/h9H,3-6H2,1-2H3
InChIKeySSMGMKPPRWPXOU-UHFFFAOYSA-N
XLogP0.50
TPSA60.18 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 ≤ 50.50
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 2-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (CID 60976750) is 2-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is CCOCCNCc1nc(C)no1.
What is the InChIKey of 2-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The InChIKey is SSMGMKPPRWPXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-3-12-5-4-9-6-8-10-7(2)11-13-8/h9H,3-6H2,1-2H3.
What are the key properties of 2-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
2-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine has a molecular weight of 185.23 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 60976750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).