2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide

C21H22N4O3 — CID 46402825

About 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide

2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide (PubChem CID 46402825) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
• PubChem CID: 46402825
• Molecular Formula: C21H22N4O3
• Molecular Weight: 378.43 g/mol
• Exact Mass: 378.17
• IUPAC Name: 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
• SMILES: Cc1oc(NC(=O)CN2CCCC(c3nc4ccccc4o3)C2)c(C#N)c1C
• InChI: InChI=1S/C21H22N4O3/c1-13-14(2)27-21(16(13)10-22)24-19(26)12-25-9-5-6-15(11-25)20-23-17-7-3-4-8-18(17)28-20/h3-4,7-8,15H,5-6,9,11-12H2,1-2H3,(H,24,26)
• InChIKey: KLUYGQRGOIJSCU-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 95.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.43
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide?

The IUPAC name of 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide (CID 46402825) is 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide.

What is the SMILES notation for 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide?

The canonical SMILES for 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide is Cc1oc(NC(=O)CN2CCCC(c3nc4ccccc4o3)C2)c(C#N)c1C.

What is the InChIKey of 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide?

The InChIKey is KLUYGQRGOIJSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13-14(2)27-21(16(13)10-22)24-19(26)12-25-9-5-6-15(11-25)20-23-17-7-3-4-8-18(17)28-20/h3-4,7-8,15H,5-6,9,11-12H2,1-2H3,(H,24,26).

What are the key properties of 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide?

2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide has a molecular weight of 378.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide is sourced from PubChem (CID 46402825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).