2-methyl-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-oxazole-5-carboxamide

C16H14N4O4 — CID 139412428

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

2-methyl-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-oxazole-5-carboxamide (PubChem CID 139412428) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is 2-methyl-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-oxazole-5-carboxamide
• PubChem CID: 139412428
• Molecular Formula: C16H14N4O4
• Molecular Weight: 326.31 g/mol
• Exact Mass: 326.10
• IUPAC Name: 2-methyl-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-oxazole-5-carboxamide
• SMILES: Cc1nc(-c2ccc3c(c2)OCC3NC(=O)c2cnc(C)o2)no1
• InChI: InChI=1S/C16H14N4O4/c1-8-17-6-14(23-8)16(21)19-12-7-22-13-5-10(3-4-11(12)13)15-18-9(2)24-20-15/h3-6,12H,7H2,1-2H3,(H,19,21)
• InChIKey: RZIXYWHXIHLLDE-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 103.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.31
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-methyl-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-oxazole-5-carboxamide (CID 139412428) is 2-methyl-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-oxazole-5-carboxamide.

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

The canonical SMILES for 2-methyl-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-oxazole-5-carboxamide is Cc1nc(-c2ccc3c(c2)OCC3NC(=O)c2cnc(C)o2)no1.

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

The InChIKey is RZIXYWHXIHLLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4/c1-8-17-6-14(23-8)16(21)19-12-7-22-13-5-10(3-4-11(12)13)15-18-9(2)24-20-15/h3-6,12H,7H2,1-2H3,(H,19,21).

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

2-methyl-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 326.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 139412428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).