2-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,7-dihydro-5H-1-benzofuran-3-carboxamide

C18H16N4O4 — CID 91841415

About 2-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,7-dihydro-5H-1-benzofuran-3-carboxamide

2-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,7-dihydro-5H-1-benzofuran-3-carboxamide (PubChem CID 91841415) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,7-dihydro-5H-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,7-dihydro-5H-1-benzofuran-3-carboxamide
• PubChem CID: 91841415
• Molecular Formula: C18H16N4O4
• Molecular Weight: 352.35 g/mol
• Exact Mass: 352.12
• IUPAC Name: 2-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,7-dihydro-5H-1-benzofuran-3-carboxamide
• SMILES: Cc1oc2c(c1C(=O)NCc1nc(-c3ccccn3)no1)C(=O)CCC2
• InChI: InChI=1S/C18H16N4O4/c1-10-15(16-12(23)6-4-7-13(16)25-10)18(24)20-9-14-21-17(22-26-14)11-5-2-3-8-19-11/h2-3,5,8H,4,6-7,9H2,1H3,(H,20,24)
• InChIKey: ZLIOFPRTIIFCLD-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 111.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.35
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,7-dihydro-5H-1-benzofuran-3-carboxamide?

The IUPAC name of 2-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,7-dihydro-5H-1-benzofuran-3-carboxamide (CID 91841415) is 2-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,7-dihydro-5H-1-benzofuran-3-carboxamide.

What is the SMILES notation for 2-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,7-dihydro-5H-1-benzofuran-3-carboxamide?

The canonical SMILES for 2-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,7-dihydro-5H-1-benzofuran-3-carboxamide is Cc1oc2c(c1C(=O)NCc1nc(-c3ccccn3)no1)C(=O)CCC2.

What is the InChIKey of 2-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,7-dihydro-5H-1-benzofuran-3-carboxamide?

The InChIKey is ZLIOFPRTIIFCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-10-15(16-12(23)6-4-7-13(16)25-10)18(24)20-9-14-21-17(22-26-14)11-5-2-3-8-19-11/h2-3,5,8H,4,6-7,9H2,1H3,(H,20,24).

What are the key properties of 2-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,7-dihydro-5H-1-benzofuran-3-carboxamide?

2-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,7-dihydro-5H-1-benzofuran-3-carboxamide has a molecular weight of 352.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,7-dihydro-5H-1-benzofuran-3-carboxamide is sourced from PubChem (CID 91841415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).