N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide

C24H17N3O5 — CID 40956716

About N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide

N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide (PubChem CID 40956716) has the molecular formula C24H17N3O5 and a molecular weight of 427.42 g/mol. Its IUPAC name is N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide.

Molecular Properties

• Compound Name: N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide
• PubChem CID: 40956716
• Molecular Formula: C24H17N3O5
• Molecular Weight: 427.42 g/mol
• Exact Mass: 427.12
• IUPAC Name: N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide
• SMILES: COc1cccc2cc(-c3nnc(NC(=O)c4cccc(Oc5ccccc5)c4)o3)oc12
• InChI: InChI=1S/C24H17N3O5/c1-29-19-12-6-7-15-14-20(31-21(15)19)23-26-27-24(32-23)25-22(28)16-8-5-11-18(13-16)30-17-9-3-2-4-10-17/h2-14H,1H3,(H,25,27,28)
• InChIKey: CFCDLDAETNLFBG-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 99.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.42
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide?

The IUPAC name of N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide (CID 40956716) is N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide.

What is the SMILES notation for N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide?

The canonical SMILES for N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide is COc1cccc2cc(-c3nnc(NC(=O)c4cccc(Oc5ccccc5)c4)o3)oc12.

What is the InChIKey of N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide?

The InChIKey is CFCDLDAETNLFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O5/c1-29-19-12-6-7-15-14-20(31-21(15)19)23-26-27-24(32-23)25-22(28)16-8-5-11-18(13-16)30-17-9-3-2-4-10-17/h2-14H,1H3,(H,25,27,28).

What are the key properties of N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide?

N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide has a molecular weight of 427.42 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide is sourced from PubChem (CID 40956716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).