2-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide

C23H17N3O3S — CID 30850548

About 2-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide

2-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide (PubChem CID 30850548) has the molecular formula C23H17N3O3S and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
• PubChem CID: 30850548
• Molecular Formula: C23H17N3O3S
• Molecular Weight: 415.47 g/mol
• Exact Mass: 415.10
• IUPAC Name: 2-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
• SMILES: Cc1ccc2nc(-c3ccc(NC(=O)Cc4cc(-c5ccco5)on4)cc3)sc2c1
• InChI: InChI=1S/C23H17N3O3S/c1-14-4-9-18-21(11-14)30-23(25-18)15-5-7-16(8-6-15)24-22(27)13-17-12-20(29-26-17)19-3-2-10-28-19/h2-12H,13H2,1H3,(H,24,27)
• InChIKey: MNVQSSBRYJBXRE-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 81.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.47
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?

The IUPAC name of 2-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide (CID 30850548) is 2-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide.

What is the SMILES notation for 2-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?

The canonical SMILES for 2-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide is Cc1ccc2nc(-c3ccc(NC(=O)Cc4cc(-c5ccco5)on4)cc3)sc2c1.

What is the InChIKey of 2-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?

The InChIKey is MNVQSSBRYJBXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3S/c1-14-4-9-18-21(11-14)30-23(25-18)15-5-7-16(8-6-15)24-22(27)13-17-12-20(29-26-17)19-3-2-10-28-19/h2-12H,13H2,1H3,(H,24,27).

What are the key properties of 2-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?

2-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide has a molecular weight of 415.47 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 30850548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).