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

C₁₄H₁₉N₃O₂ — CID 62921190

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

N-[[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine (PubChem CID 62921190) has the molecular formula C₁₄H₁₉N₃O₂ and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine.

Molecular Properties

• Compound Name: N-[[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
• PubChem CID: 62921190
• Molecular Formula: C₁₄H₁₉N₃O₂
• Molecular Weight: 261.32 g/mol
• Exact Mass: 261.15
• IUPAC Name: N-[[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
• SMILES: CCNCc1noc(-c2cccc(OC(C)C)c2)n1
• InChI: InChI=1S/C14H19N3O2/c1-4-15-9-13-16-14(19-17-13)11-6-5-7-12(8-11)18-10(2)3/h5-8,10,15H,4,9H2,1-3H3
• InChIKey: LFYFJEZMZDUSBM-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-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?

The IUPAC name of N-[[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine (CID 62921190) is N-[[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine.

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

The canonical SMILES for N-[[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine is CCNCc1noc(-c2cccc(OC(C)C)c2)n1.

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

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

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

N-[[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine 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-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 62921190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 62921190 — identifiers, structure, computed properties (public domain)

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