P-Methoxybenzamidoxime

C₈H₁₀N₂O₂ — CID 21471

About P-Methoxybenzamidoxime

P-Methoxybenzamidoxime (PubChem CID 21471) has the molecular formula C₈H₁₀N₂O₂ and a molecular weight of 166.18 g/mol. Its IUPAC name is N'-hydroxy-4-methoxybenzenecarboximidamide.

Molecular Properties

• Compound Name: P-Methoxybenzamidoxime
• PubChem CID: 21471
• Molecular Formula: C₈H₁₀N₂O₂
• Molecular Weight: 166.18 g/mol
• Exact Mass: 166.07
• IUPAC Name: N'-hydroxy-4-methoxybenzenecarboximidamide
• SMILES: COc1ccc(C(N)=NO)cc1
• InChI: InChI=1S/C8H10N2O2/c1-12-7-4-2-6(3-5-7)8(9)10-11/h2-5,11H,1H3,(H2,9,10)
• InChIKey: WVALRFKCJCIVBR-UHFFFAOYSA-N
• XLogP: 0.79
• TPSA: 67.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	166.18
LogP ≤ 5	0.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of P-Methoxybenzamidoxime?

The IUPAC name of P-Methoxybenzamidoxime (CID 21471) is N'-hydroxy-4-methoxybenzenecarboximidamide.

What is the SMILES notation for P-Methoxybenzamidoxime?

The canonical SMILES for P-Methoxybenzamidoxime is COc1ccc(C(N)=NO)cc1.

What is the InChIKey of P-Methoxybenzamidoxime?

The InChIKey is WVALRFKCJCIVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-12-7-4-2-6(3-5-7)8(9)10-11/h2-5,11H,1H3,(H2,9,10).

What are the key properties of P-Methoxybenzamidoxime?

P-Methoxybenzamidoxime has a molecular weight of 166.18 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for P-Methoxybenzamidoxime is sourced from PubChem (CID 21471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 21471 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.