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

C19H17N3O4 — CID 139412765

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

3-(hydroxymethyl)-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]benzamide (PubChem CID 139412765) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]benzamide.

Molecular Properties

• Compound Name: 3-(hydroxymethyl)-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]benzamide
• PubChem CID: 139412765
• Molecular Formula: C19H17N3O4
• Molecular Weight: 351.36 g/mol
• Exact Mass: 351.12
• IUPAC Name: 3-(hydroxymethyl)-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]benzamide
• SMILES: Cc1nc(-c2ccc3c(c2)OCC3NC(=O)c2cccc(CO)c2)no1
• InChI: InChI=1S/C19H17N3O4/c1-11-20-18(22-26-11)13-5-6-15-16(10-25-17(15)8-13)21-19(24)14-4-2-3-12(7-14)9-23/h2-8,16,23H,9-10H2,1H3,(H,21,24)
• InChIKey: PLGUUQJFXUUATG-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 97.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.36
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(hydroxymethyl)-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]benzamide (CID 139412765) is 3-(hydroxymethyl)-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]benzamide.

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

The canonical SMILES for 3-(hydroxymethyl)-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]benzamide is Cc1nc(-c2ccc3c(c2)OCC3NC(=O)c2cccc(CO)c2)no1.

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

The InChIKey is PLGUUQJFXUUATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-11-20-18(22-26-11)13-5-6-15-16(10-25-17(15)8-13)21-19(24)14-4-2-3-12(7-14)9-23/h2-8,16,23H,9-10H2,1H3,(H,21,24).

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

3-(hydroxymethyl)-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]benzamide has a molecular weight of 351.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(hydroxymethyl)-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 139412765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).