methyl 1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate

C19H19N3O5 — CID 51328474

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

methyl 1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate (PubChem CID 51328474) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is methyl 1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate.

Molecular Properties

• Compound Name: methyl 1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate
• PubChem CID: 51328474
• Molecular Formula: C19H19N3O5
• Molecular Weight: 369.38 g/mol
• Exact Mass: 369.13
• IUPAC Name: methyl 1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate
• SMILES: COC(=O)C1CCN(C(=O)c2cc(-c3ccco3)nc3onc(C)c23)CC1
• InChI: InChI=1S/C19H19N3O5/c1-11-16-13(18(23)22-7-5-12(6-8-22)19(24)25-2)10-14(15-4-3-9-26-15)20-17(16)27-21-11/h3-4,9-10,12H,5-8H2,1-2H3
• InChIKey: ZRIJTBXINHHFGN-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 98.67 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.38
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of methyl 1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate (CID 51328474) is methyl 1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate.

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

The canonical SMILES for methyl 1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2cc(-c3ccco3)nc3onc(C)c23)CC1.

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

The InChIKey is ZRIJTBXINHHFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-11-16-13(18(23)22-7-5-12(6-8-22)19(24)25-2)10-14(15-4-3-9-26-15)20-17(16)27-21-11/h3-4,9-10,12H,5-8H2,1-2H3.

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

methyl 1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate has a molecular weight of 369.38 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 51328474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).