4-(dimethylamino)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide

C21H20N4O4 — CID 40890071

About 4-(dimethylamino)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide

4-(dimethylamino)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 40890071) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-(dimethylamino)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 40890071
• Molecular Formula: C21H20N4O4
• Molecular Weight: 392.42 g/mol
• Exact Mass: 392.15
• IUPAC Name: 4-(dimethylamino)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: CCOc1cccc2cc(-c3nnc(NC(=O)c4ccc(N(C)C)cc4)o3)oc12
• InChI: InChI=1S/C21H20N4O4/c1-4-27-16-7-5-6-14-12-17(28-18(14)16)20-23-24-21(29-20)22-19(26)13-8-10-15(11-9-13)25(2)3/h5-12H,4H2,1-3H3,(H,22,24,26)
• InChIKey: PXVZPBSYXWFWCO-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 93.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.42
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-(dimethylamino)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 40890071) is 4-(dimethylamino)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.

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

The canonical SMILES for 4-(dimethylamino)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is CCOc1cccc2cc(-c3nnc(NC(=O)c4ccc(N(C)C)cc4)o3)oc12.

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

The InChIKey is PXVZPBSYXWFWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-4-27-16-7-5-6-14-12-17(28-18(14)16)20-23-24-21(29-20)22-19(26)13-8-10-15(11-9-13)25(2)3/h5-12H,4H2,1-3H3,(H,22,24,26).

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

4-(dimethylamino)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 392.42 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(dimethylamino)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 40890071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).