[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

C24H20N4O6 — CID 55485514

About [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 55485514) has the molecular formula C24H20N4O6 and a molecular weight of 460.45 g/mol. Its IUPAC name is [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
• PubChem CID: 55485514
• Molecular Formula: C24H20N4O6
• Molecular Weight: 460.45 g/mol
• Exact Mass: 460.14
• IUPAC Name: [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
• SMILES: COc1ccccc1-c1noc(COC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c23)n1
• InChI: InChI=1S/C24H20N4O6/c1-12-9-16(14(3)32-12)18-10-17(21-13(2)27-34-23(21)25-18)24(29)31-11-20-26-22(28-33-20)15-7-5-6-8-19(15)30-4/h5-10H,11H2,1-4H3
• InChIKey: YJQAXQGJLXJDMH-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 126.51 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.45
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?

The IUPAC name of [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (CID 55485514) is [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.

What is the SMILES notation for [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?

The canonical SMILES for [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is COc1ccccc1-c1noc(COC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c23)n1.

What is the InChIKey of [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?

The InChIKey is YJQAXQGJLXJDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O6/c1-12-9-16(14(3)32-12)18-10-17(21-13(2)27-34-23(21)25-18)24(29)31-11-20-26-22(28-33-20)15-7-5-6-8-19(15)30-4/h5-10H,11H2,1-4H3.

What are the key properties of [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?

[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 460.45 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 55485514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).