N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C21H17N3O5 — CID 17492087

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 17492087) has the molecular formula C21H17N3O5 and a molecular weight of 391.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 17492087
• Molecular Formula: C21H17N3O5
• Molecular Weight: 391.38 g/mol
• Exact Mass: 391.12
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1noc2nc(-c3ccco3)cc(C(=O)NCC3COc4ccccc4O3)c12
• InChI: InChI=1S/C21H17N3O5/c1-12-19-14(9-15(16-7-4-8-26-16)23-21(19)29-24-12)20(25)22-10-13-11-27-17-5-2-3-6-18(17)28-13/h2-9,13H,10-11H2,1H3,(H,22,25)
• InChIKey: OJKYPTUWOCBMIP-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 99.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.38
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 17492087) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccco3)cc(C(=O)NCC3COc4ccccc4O3)c12.

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

The InChIKey is OJKYPTUWOCBMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O5/c1-12-19-14(9-15(16-7-4-8-26-16)23-21(19)29-24-12)20(25)22-10-13-11-27-17-5-2-3-6-18(17)28-13/h2-9,13H,10-11H2,1H3,(H,22,25).

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

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 391.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 17492087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).