[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate

C₂₃H₁₈N₂O₄ — CID 138465061

About [3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate

[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate (PubChem CID 138465061) has the molecular formula C₂₃H₁₈N₂O₄ and a molecular weight of 386.41 g/mol. Its IUPAC name is [3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate.

Molecular Properties

• Compound Name: [3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate
• PubChem CID: 138465061
• Molecular Formula: C₂₃H₁₈N₂O₄
• Molecular Weight: 386.41 g/mol
• Exact Mass: 386.13
• IUPAC Name: [3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate
• SMILES: Cc1ccc(-c2cc(COC(=O)c3ccc(Oc4ccccc4)nc3)on2)cc1
• InChI: InChI=1S/C23H18N2O4/c1-16-7-9-17(10-8-16)21-13-20(29-25-21)15-27-23(26)18-11-12-22(24-14-18)28-19-5-3-2-4-6-19/h2-14H,15H2,1H3
• InChIKey: RUQXQBCGEUFGTF-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 74.45 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.41
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate?

The IUPAC name of [3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate (CID 138465061) is [3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate.

What is the SMILES notation for [3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate?

The canonical SMILES for [3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate is Cc1ccc(-c2cc(COC(=O)c3ccc(Oc4ccccc4)nc3)on2)cc1.

What is the InChIKey of [3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate?

The InChIKey is RUQXQBCGEUFGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-16-7-9-17(10-8-16)21-13-20(29-25-21)15-27-23(26)18-11-12-22(24-14-18)28-19-5-3-2-4-6-19/h2-14H,15H2,1H3.

What are the key properties of [3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate?

[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate has a molecular weight of 386.41 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate is sourced from PubChem (CID 138465061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 138465061 — identifiers, structure, computed properties (public domain)

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