N-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine

C₁₆H₁₄ClN₃O₃ — CID 10758928

About N-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine

N-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine (PubChem CID 10758928) has the molecular formula C₁₆H₁₄ClN₃O₃ and a molecular weight of 331.76 g/mol. Its IUPAC name is N-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine.

Molecular Properties

• Compound Name: N-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine
• PubChem CID: 10758928
• Molecular Formula: C₁₆H₁₄ClN₃O₃
• Molecular Weight: 331.76 g/mol
• Exact Mass: 331.07
• IUPAC Name: N-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine
• SMILES: ONCc1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)cc1
• InChI: InChI=1S/C16H14ClN3O3/c17-13-5-3-12(4-6-13)16-19-15(20-23-16)10-22-14-7-1-11(2-8-14)9-18-21/h1-8,18,21H,9-10H2
• InChIKey: ICSTYCCMSFFJAX-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 80.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.76
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine?

The IUPAC name of N-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine (CID 10758928) is N-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine.

What is the SMILES notation for N-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine?

The canonical SMILES for N-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine is ONCc1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)cc1.

What is the InChIKey of N-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine?

The InChIKey is ICSTYCCMSFFJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c17-13-5-3-12(4-6-13)16-19-15(20-23-16)10-22-14-7-1-11(2-8-14)9-18-21/h1-8,18,21H,9-10H2.

What are the key properties of N-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine?

N-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine has a molecular weight of 331.76 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine is sourced from PubChem (CID 10758928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10758928 — identifiers, structure, computed properties (public domain)

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