[4-[3-(1,3-benzodioxol-5-yl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone

C24H20N4O6 — CID 19616073

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

[4-[3-(1,3-benzodioxol-5-yl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 19616073) has the molecular formula C24H20N4O6 and a molecular weight of 460.45 g/mol. Its IUPAC name is [4-[3-(1,3-benzodioxol-5-yl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

• Compound Name: [4-[3-(1,3-benzodioxol-5-yl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
• PubChem CID: 19616073
• Molecular Formula: C24H20N4O6
• Molecular Weight: 460.45 g/mol
• Exact Mass: 460.14
• IUPAC Name: [4-[3-(1,3-benzodioxol-5-yl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
• SMILES: Cc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2c(-c3ccc4c(c3)OCO4)noc2n1
• InChI: InChI=1S/C24H20N4O6/c1-14-11-16(23(29)27-6-8-28(9-7-27)24(30)18-3-2-10-31-18)20-21(26-34-22(20)25-14)15-4-5-17-19(12-15)33-13-32-17/h2-5,10-12H,6-9,13H2,1H3
• InChIKey: LMSVPJXZQXAFDC-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 111.14 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.45
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of [4-[3-(1,3-benzodioxol-5-yl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 19616073) is [4-[3-(1,3-benzodioxol-5-yl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.

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

The canonical SMILES for [4-[3-(1,3-benzodioxol-5-yl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is Cc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2c(-c3ccc4c(c3)OCO4)noc2n1.

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

The InChIKey is LMSVPJXZQXAFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O6/c1-14-11-16(23(29)27-6-8-28(9-7-27)24(30)18-3-2-10-31-18)20-21(26-34-22(20)25-14)15-4-5-17-19(12-15)33-13-32-17/h2-5,10-12H,6-9,13H2,1H3.

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

[4-[3-(1,3-benzodioxol-5-yl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 460.45 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-(1,3-benzodioxol-5-yl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 19616073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).