6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxan-2-yloxy)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C19H21N3O5 — CID 51130599

About 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxan-2-yloxy)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxan-2-yloxy)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 51130599) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxan-2-yloxy)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxan-2-yloxy)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 51130599
• Molecular Formula: C19H21N3O5
• Molecular Weight: 371.39 g/mol
• Exact Mass: 371.15
• IUPAC Name: 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxan-2-yloxy)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1cc(-c2cc(C(=O)NOC3CCCCO3)c3c(C)noc3n2)c(C)o1
• InChI: InChI=1S/C19H21N3O5/c1-10-8-13(12(3)25-10)15-9-14(17-11(2)21-27-19(17)20-15)18(23)22-26-16-6-4-5-7-24-16/h8-9,16H,4-7H2,1-3H3,(H,22,23)
• InChIKey: ICZKQHYPZFXZPH-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 99.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.39
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxan-2-yloxy)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxan-2-yloxy)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 51130599) is 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxan-2-yloxy)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxan-2-yloxy)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxan-2-yloxy)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)NOC3CCCCO3)c3c(C)noc3n2)c(C)o1.

What is the InChIKey of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxan-2-yloxy)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is ICZKQHYPZFXZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-10-8-13(12(3)25-10)15-9-14(17-11(2)21-27-19(17)20-15)18(23)22-26-16-6-4-5-7-24-16/h8-9,16H,4-7H2,1-3H3,(H,22,23).

What are the key properties of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxan-2-yloxy)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxan-2-yloxy)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxan-2-yloxy)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 51130599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).