[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

C21H24N4O6 — CID 55485253

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

[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 55485253) has the molecular formula C21H24N4O6 and a molecular weight of 428.45 g/mol. Its IUPAC name is [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
• PubChem CID: 55485253
• Molecular Formula: C21H24N4O6
• Molecular Weight: 428.45 g/mol
• Exact Mass: 428.17
• IUPAC Name: [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
• SMILES: Cc1cc(-c2cc(C(=O)OC(C)C(=O)NC(=O)NC(C)C)c3c(C)noc3n2)c(C)o1
• InChI: InChI=1S/C21H24N4O6/c1-9(2)22-21(28)24-18(26)13(6)30-20(27)15-8-16(14-7-10(3)29-12(14)5)23-19-17(15)11(4)25-31-19/h7-9,13H,1-6H3,(H2,22,24,26,28)
• InChIKey: MOMKTVHTJWDSCP-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 136.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.45
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (CID 55485253) is [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.

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

The canonical SMILES for [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is Cc1cc(-c2cc(C(=O)OC(C)C(=O)NC(=O)NC(C)C)c3c(C)noc3n2)c(C)o1.

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

The InChIKey is MOMKTVHTJWDSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O6/c1-9(2)22-21(28)24-18(26)13(6)30-20(27)15-8-16(14-7-10(3)29-12(14)5)23-19-17(15)11(4)25-31-19/h7-9,13H,1-6H3,(H2,22,24,26,28).

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

[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 428.45 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 55485253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).