7-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-benzofuran-2-carboxamide

C18H14N4O5 — CID 136666450

About 7-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-benzofuran-2-carboxamide

7-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 136666450) has the molecular formula C18H14N4O5 and a molecular weight of 366.33 g/mol. Its IUPAC name is 7-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 7-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-benzofuran-2-carboxamide
• PubChem CID: 136666450
• Molecular Formula: C18H14N4O5
• Molecular Weight: 366.33 g/mol
• Exact Mass: 366.10
• IUPAC Name: 7-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-benzofuran-2-carboxamide
• SMILES: COc1cccc2cc(C(=O)NCc3nc(-c4ccc[nH]c4=O)no3)oc12
• InChI: InChI=1S/C18H14N4O5/c1-25-12-6-2-4-10-8-13(26-15(10)12)18(24)20-9-14-21-16(22-27-14)11-5-3-7-19-17(11)23/h2-8H,9H2,1H3,(H,19,23)(H,20,24)
• InChIKey: CGVTWEDYXOKPQT-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 123.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.33
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 7-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-benzofuran-2-carboxamide (CID 136666450) is 7-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-benzofuran-2-carboxamide.

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

The canonical SMILES for 7-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NCc3nc(-c4ccc[nH]c4=O)no3)oc12.

What is the InChIKey of 7-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-benzofuran-2-carboxamide?

The InChIKey is CGVTWEDYXOKPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O5/c1-25-12-6-2-4-10-8-13(26-15(10)12)18(24)20-9-14-21-16(22-27-14)11-5-3-7-19-17(11)23/h2-8H,9H2,1H3,(H,19,23)(H,20,24).

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

7-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 366.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 136666450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).