4-[3-(hydroxymethyl)oxolan-3-yl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide

C22H24N2O6 — CID 175480519

About 4-[3-(hydroxymethyl)oxolan-3-yl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide

4-[3-(hydroxymethyl)oxolan-3-yl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 175480519) has the molecular formula C22H24N2O6 and a molecular weight of 412.44 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)oxolan-3-yl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 4-[3-(hydroxymethyl)oxolan-3-yl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
• PubChem CID: 175480519
• Molecular Formula: C22H24N2O6
• Molecular Weight: 412.44 g/mol
• Exact Mass: 412.16
• IUPAC Name: 4-[3-(hydroxymethyl)oxolan-3-yl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
• SMILES: COc1ncccc1COc1ccc2oc(C)c(C(N)=O)c2c1C1(CO)CCOC1
• InChI: InChI=1S/C22H24N2O6/c1-13-17(20(23)26)18-15(30-13)5-6-16(19(18)22(11-25)7-9-28-12-22)29-10-14-4-3-8-24-21(14)27-2/h3-6,8,25H,7,9-12H2,1-2H3,(H2,23,26)
• InChIKey: AOKYMBHMQRFXIE-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 117.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.44
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)oxolan-3-yl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide?

The IUPAC name of 4-[3-(hydroxymethyl)oxolan-3-yl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide (CID 175480519) is 4-[3-(hydroxymethyl)oxolan-3-yl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide.

What is the SMILES notation for 4-[3-(hydroxymethyl)oxolan-3-yl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide?

The canonical SMILES for 4-[3-(hydroxymethyl)oxolan-3-yl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide is COc1ncccc1COc1ccc2oc(C)c(C(N)=O)c2c1C1(CO)CCOC1.

What is the InChIKey of 4-[3-(hydroxymethyl)oxolan-3-yl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide?

The InChIKey is AOKYMBHMQRFXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6/c1-13-17(20(23)26)18-15(30-13)5-6-16(19(18)22(11-25)7-9-28-12-22)29-10-14-4-3-8-24-21(14)27-2/h3-6,8,25H,7,9-12H2,1-2H3,(H2,23,26).

What are the key properties of 4-[3-(hydroxymethyl)oxolan-3-yl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide?

4-[3-(hydroxymethyl)oxolan-3-yl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 412.44 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(hydroxymethyl)oxolan-3-yl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 175480519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).