2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide

C25H20N4O5 — CID 134716799

About 2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide

2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide (PubChem CID 134716799) has the molecular formula C25H20N4O5 and a molecular weight of 456.46 g/mol. Its IUPAC name is 2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
• PubChem CID: 134716799
• Molecular Formula: C25H20N4O5
• Molecular Weight: 456.46 g/mol
• Exact Mass: 456.14
• IUPAC Name: 2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
• SMILES: Cc1cc(=O)c2oc(-c3ccccc3)c(CC(=O)NCCc3nc(-c4cccnc4)no3)c2o1
• InChI: InChI=1S/C25H20N4O5/c1-15-12-19(30)24-23(32-15)18(22(33-24)16-6-3-2-4-7-16)13-20(31)27-11-9-21-28-25(29-34-21)17-8-5-10-26-14-17/h2-8,10,12,14H,9,11,13H2,1H3,(H,27,31)
• InChIKey: RBZLSNAODUHEJQ-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 124.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.46
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?

The IUPAC name of 2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide (CID 134716799) is 2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide.

What is the SMILES notation for 2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?

The canonical SMILES for 2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide is Cc1cc(=O)c2oc(-c3ccccc3)c(CC(=O)NCCc3nc(-c4cccnc4)no3)c2o1.

What is the InChIKey of 2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?

The InChIKey is RBZLSNAODUHEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O5/c1-15-12-19(30)24-23(32-15)18(22(33-24)16-6-3-2-4-7-16)13-20(31)27-11-9-21-28-25(29-34-21)17-8-5-10-26-14-17/h2-8,10,12,14H,9,11,13H2,1H3,(H,27,31).

What are the key properties of 2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?

2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide has a molecular weight of 456.46 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 134716799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).