[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

C18H18N2O6 — CID 35732647

About [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 35732647) has the molecular formula C18H18N2O6 and a molecular weight of 358.35 g/mol. Its IUPAC name is [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
• PubChem CID: 35732647
• Molecular Formula: C18H18N2O6
• Molecular Weight: 358.35 g/mol
• Exact Mass: 358.12
• IUPAC Name: [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
• SMILES: Cc1noc2nc(-c3ccco3)cc(C(=O)OCC(=O)OC(C)(C)C)c12
• InChI: InChI=1S/C18H18N2O6/c1-10-15-11(17(22)24-9-14(21)25-18(2,3)4)8-12(13-6-5-7-23-13)19-16(15)26-20-10/h5-8H,9H2,1-4H3
• InChIKey: LRIWKDAHTZTCFQ-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 104.66 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.35
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?

The IUPAC name of [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (CID 35732647) is [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.

What is the SMILES notation for [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?

The canonical SMILES for [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is Cc1noc2nc(-c3ccco3)cc(C(=O)OCC(=O)OC(C)(C)C)c12.

What is the InChIKey of [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?

The InChIKey is LRIWKDAHTZTCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6/c1-10-15-11(17(22)24-9-14(21)25-18(2,3)4)8-12(13-6-5-7-23-13)19-16(15)26-20-10/h5-8H,9H2,1-4H3.

What are the key properties of [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?

[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 358.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 35732647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).