N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C26H30N4O5 — CID 55819078

About N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55819078) has the molecular formula C26H30N4O5 and a molecular weight of 478.55 g/mol. Its IUPAC name is N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55819078
• Molecular Formula: C26H30N4O5
• Molecular Weight: 478.55 g/mol
• Exact Mass: 478.22
• IUPAC Name: N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CCN(CC)CCOc1ccc(CNC(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc1OC
• InChI: InChI=1S/C26H30N4O5/c1-5-30(6-2)11-13-34-22-10-9-18(14-23(22)32-4)16-27-25(31)19-15-20(21-8-7-12-33-21)28-26-24(19)17(3)29-35-26/h7-10,12,14-15H,5-6,11,13,16H2,1-4H3,(H,27,31)
• InChIKey: CIRJREAMBXMIDX-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 102.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.55
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 55819078) is N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCN(CC)CCOc1ccc(CNC(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc1OC.

What is the InChIKey of N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is CIRJREAMBXMIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5/c1-5-30(6-2)11-13-34-22-10-9-18(14-23(22)32-4)16-27-25(31)19-15-20(21-8-7-12-33-21)28-26-24(19)17(3)29-35-26/h7-10,12,14-15H,5-6,11,13,16H2,1-4H3,(H,27,31).

What are the key properties of N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 4.45, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55819078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).