2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide

C17H18N2O4S — CID 91816673

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide (PubChem CID 91816673) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

• Compound Name: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
• PubChem CID: 91816673
• Molecular Formula: C17H18N2O4S
• Molecular Weight: 346.41 g/mol
• Exact Mass: 346.10
• IUPAC Name: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
• SMILES: Cc1noc(C)c1CC(=O)NCC(O)(c1ccco1)c1cccs1
• InChI: InChI=1S/C17H18N2O4S/c1-11-13(12(2)23-19-11)9-16(20)18-10-17(21,14-5-3-7-22-14)15-6-4-8-24-15/h3-8,21H,9-10H2,1-2H3,(H,18,20)
• InChIKey: AOEPUFWZGKIAKW-UHFFFAOYSA-N
• XLogP: 2.54
• 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	2.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide (CID 91816673) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide.

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

The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide is Cc1noc(C)c1CC(=O)NCC(O)(c1ccco1)c1cccs1.

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

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

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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide has a molecular weight of 346.41 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 91816673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).