N-[[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine

C₁₄H₁₉N₃O₂ — CID 62342561

About N-[[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine

N-[[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine (PubChem CID 62342561) has the molecular formula C₁₄H₁₉N₃O₂ and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine.

Molecular Properties

• Compound Name: N-[[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
• PubChem CID: 62342561
• Molecular Formula: C₁₄H₁₉N₃O₂
• Molecular Weight: 261.32 g/mol
• Exact Mass: 261.15
• IUPAC Name: N-[[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
• SMILES: CCOc1ccccc1-c1nc(CNC(C)C)no1
• InChI: InChI=1S/C14H19N3O2/c1-4-18-12-8-6-5-7-11(12)14-16-13(17-19-14)9-15-10(2)3/h5-8,10,15H,4,9H2,1-3H3
• InChIKey: FUZVARZYXITACG-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 60.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	261.32
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?

The IUPAC name of N-[[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine (CID 62342561) is N-[[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine.

What is the SMILES notation for N-[[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?

The canonical SMILES for N-[[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine is CCOc1ccccc1-c1nc(CNC(C)C)no1.

What is the InChIKey of N-[[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?

The InChIKey is FUZVARZYXITACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-18-12-8-6-5-7-11(12)14-16-13(17-19-14)9-15-10(2)3/h5-8,10,15H,4,9H2,1-3H3.

What are the key properties of N-[[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?

N-[[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine has a molecular weight of 261.32 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62342561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 62342561 — identifiers, structure, computed properties (public domain)

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