N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine

C₁₁H₁₁ClFN₃O — CID 62341977

About N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine

N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine (PubChem CID 62341977) has the molecular formula C₁₁H₁₁ClFN₃O and a molecular weight of 255.68 g/mol. Its IUPAC name is N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine.

Molecular Properties

• Compound Name: N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
• PubChem CID: 62341977
• Molecular Formula: C₁₁H₁₁ClFN₃O
• Molecular Weight: 255.68 g/mol
• Exact Mass: 255.06
• IUPAC Name: N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
• SMILES: CCNCc1noc(-c2c(F)cccc2Cl)n1
• InChI: InChI=1S/C11H11ClFN3O/c1-2-14-6-9-15-11(17-16-9)10-7(12)4-3-5-8(10)13/h3-5,14H,2,6H2,1H3
• InChIKey: WZIKDIIQCVSMRF-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 50.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	255.68
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?

The IUPAC name of N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine (CID 62341977) is N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine.

What is the SMILES notation for N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?

The canonical SMILES for N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine is CCNCc1noc(-c2c(F)cccc2Cl)n1.

What is the InChIKey of N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?

The InChIKey is WZIKDIIQCVSMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O/c1-2-14-6-9-15-11(17-16-9)10-7(12)4-3-5-8(10)13/h3-5,14H,2,6H2,1H3.

What are the key properties of N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?

N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine has a molecular weight of 255.68 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 62341977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 62341977 — identifiers, structure, computed properties (public domain)

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