2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(3-methyl-1,2-oxazol-5-yl)pyridine-3-carboximidamide

C23H18N4O4 — CID 56665143

About 2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(3-methyl-1,2-oxazol-5-yl)pyridine-3-carboximidamide

2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(3-methyl-1,2-oxazol-5-yl)pyridine-3-carboximidamide (PubChem CID 56665143) has the molecular formula C23H18N4O4 and a molecular weight of 414.42 g/mol. Its IUPAC name is 2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(3-methyl-1,2-oxazol-5-yl)pyridine-3-carboximidamide.

Molecular Properties

• Compound Name: 2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(3-methyl-1,2-oxazol-5-yl)pyridine-3-carboximidamide
• PubChem CID: 56665143
• Molecular Formula: C23H18N4O4
• Molecular Weight: 414.42 g/mol
• Exact Mass: 414.13
• IUPAC Name: 2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(3-methyl-1,2-oxazol-5-yl)pyridine-3-carboximidamide
• SMILES: Cc1cc(/N=C(/NO)c2ccc(C)nc2Oc2ccc3oc4ccccc4c3c2)on1
• InChI: InChI=1S/C23H18N4O4/c1-13-7-9-17(22(26-28)25-21-11-14(2)27-31-21)23(24-13)29-15-8-10-20-18(12-15)16-5-3-4-6-19(16)30-20/h3-12,28H,1-2H3,(H,25,26)
• InChIKey: MUEXRJFTQVNVEG-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 105.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.42
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(3-methyl-1,2-oxazol-5-yl)pyridine-3-carboximidamide?

The IUPAC name of 2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(3-methyl-1,2-oxazol-5-yl)pyridine-3-carboximidamide (CID 56665143) is 2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(3-methyl-1,2-oxazol-5-yl)pyridine-3-carboximidamide.

What is the SMILES notation for 2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(3-methyl-1,2-oxazol-5-yl)pyridine-3-carboximidamide?

The canonical SMILES for 2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(3-methyl-1,2-oxazol-5-yl)pyridine-3-carboximidamide is Cc1cc(/N=C(/NO)c2ccc(C)nc2Oc2ccc3oc4ccccc4c3c2)on1.

What is the InChIKey of 2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(3-methyl-1,2-oxazol-5-yl)pyridine-3-carboximidamide?

The InChIKey is MUEXRJFTQVNVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O4/c1-13-7-9-17(22(26-28)25-21-11-14(2)27-31-21)23(24-13)29-15-8-10-20-18(12-15)16-5-3-4-6-19(16)30-20/h3-12,28H,1-2H3,(H,25,26).

What are the key properties of 2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(3-methyl-1,2-oxazol-5-yl)pyridine-3-carboximidamide?

2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(3-methyl-1,2-oxazol-5-yl)pyridine-3-carboximidamide has a molecular weight of 414.42 g/mol, XLogP of 5.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(3-methyl-1,2-oxazol-5-yl)pyridine-3-carboximidamide is sourced from PubChem (CID 56665143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).