N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide

C23H24N2O4 — CID 9049656

About N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide

N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide (PubChem CID 9049656) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
• PubChem CID: 9049656
• Molecular Formula: C23H24N2O4
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.17
• IUPAC Name: N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
• SMILES: COc1ccc2c(CC(=O)N[C@@H](CC(C)C)c3nc4ccccc4o3)coc2c1
• InChI: InChI=1S/C23H24N2O4/c1-14(2)10-19(23-25-18-6-4-5-7-20(18)29-23)24-22(26)11-15-13-28-21-12-16(27-3)8-9-17(15)21/h4-9,12-14,19H,10-11H2,1-3H3,(H,24,26)/t19-/m0/s1
• InChIKey: PIZSKMRZFPWQQL-IBGZPJMESA-N
• XLogP: 5.03
• TPSA: 77.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?

The IUPAC name of N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide (CID 9049656) is N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide.

What is the SMILES notation for N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?

The canonical SMILES for N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide is COc1ccc2c(CC(=O)N[C@@H](CC(C)C)c3nc4ccccc4o3)coc2c1.

What is the InChIKey of N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?

The InChIKey is PIZSKMRZFPWQQL-IBGZPJMESA-N. The full InChI is InChI=1S/C23H24N2O4/c1-14(2)10-19(23-25-18-6-4-5-7-20(18)29-23)24-22(26)11-15-13-28-21-12-16(27-3)8-9-17(15)21/h4-9,12-14,19H,10-11H2,1-3H3,(H,24,26)/t19-/m0/s1.

What are the key properties of N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?

N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide has a molecular weight of 392.46 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 9049656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).