N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

C17H18N2O4S — CID 111481185

About N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (PubChem CID 111481185) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
• PubChem CID: 111481185
• Molecular Formula: C17H18N2O4S
• Molecular Weight: 346.41 g/mol
• Exact Mass: 346.10
• IUPAC Name: N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
• SMILES: Cc1ccc(C(C)(O)CNC(=O)Cc2coc(-c3cccs3)n2)o1
• InChI: InChI=1S/C17H18N2O4S/c1-11-5-6-14(23-11)17(2,21)10-18-15(20)8-12-9-22-16(19-12)13-4-3-7-24-13/h3-7,9,21H,8,10H2,1-2H3,(H,18,20)
• InChIKey: YNLOPJSKIAZXTJ-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 88.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.41
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?

The IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (CID 111481185) is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.

What is the SMILES notation for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?

The canonical SMILES for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is Cc1ccc(C(C)(O)CNC(=O)Cc2coc(-c3cccs3)n2)o1.

What is the InChIKey of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?

The InChIKey is YNLOPJSKIAZXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-11-5-6-14(23-11)17(2,21)10-18-15(20)8-12-9-22-16(19-12)13-4-3-7-24-13/h3-7,9,21H,8,10H2,1-2H3,(H,18,20).

What are the key properties of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide has a molecular weight of 346.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 111481185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).