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

C20H22N2O5S — CID 175480352

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

4-[3-(hydroxymethyl)oxolan-3-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide (PubChem CID 175480352) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)oxolan-3-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 4-[3-(hydroxymethyl)oxolan-3-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
• PubChem CID: 175480352
• Molecular Formula: C20H22N2O5S
• Molecular Weight: 402.47 g/mol
• Exact Mass: 402.12
• IUPAC Name: 4-[3-(hydroxymethyl)oxolan-3-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
• SMILES: Cc1ncc(COc2ccc3oc(C)c(C(N)=O)c3c2C2(CO)CCOC2)s1
• InChI: InChI=1S/C20H22N2O5S/c1-11-16(19(21)24)17-14(27-11)3-4-15(26-8-13-7-22-12(2)28-13)18(17)20(9-23)5-6-25-10-20/h3-4,7,23H,5-6,8-10H2,1-2H3,(H2,21,24)
• InChIKey: SSNXJAWCGDZOOC-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 107.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.47
LogP ≤ 5	2.83
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]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?

The IUPAC name of 4-[3-(hydroxymethyl)oxolan-3-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide (CID 175480352) is 4-[3-(hydroxymethyl)oxolan-3-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide.

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

The canonical SMILES for 4-[3-(hydroxymethyl)oxolan-3-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide is Cc1ncc(COc2ccc3oc(C)c(C(N)=O)c3c2C2(CO)CCOC2)s1.

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

The InChIKey is SSNXJAWCGDZOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-11-16(19(21)24)17-14(27-11)3-4-15(26-8-13-7-22-12(2)28-13)18(17)20(9-23)5-6-25-10-20/h3-4,7,23H,5-6,8-10H2,1-2H3,(H2,21,24).

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

4-[3-(hydroxymethyl)oxolan-3-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 2.83, 6 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]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 175480352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).