2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide

C19H26ClN3O3 — CID 154815842

About 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide

2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide (PubChem CID 154815842) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide.

Molecular Properties

• Compound Name: 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
• PubChem CID: 154815842
• Molecular Formula: C19H26ClN3O3
• Molecular Weight: 379.89 g/mol
• Exact Mass: 379.17
• IUPAC Name: 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
• SMILES: CC(C)(CO)CNC(=O)CC1CCCN(c2nc3ccc(Cl)cc3o2)C1
• InChI: InChI=1S/C19H26ClN3O3/c1-19(2,12-24)11-21-17(25)8-13-4-3-7-23(10-13)18-22-15-6-5-14(20)9-16(15)26-18/h5-6,9,13,24H,3-4,7-8,10-12H2,1-2H3,(H,21,25)
• InChIKey: UTOFEBSHBQSHIF-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 78.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.89
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide?

The IUPAC name of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide (CID 154815842) is 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide.

What is the SMILES notation for 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide?

The canonical SMILES for 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide is CC(C)(CO)CNC(=O)CC1CCCN(c2nc3ccc(Cl)cc3o2)C1.

What is the InChIKey of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide?

The InChIKey is UTOFEBSHBQSHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O3/c1-19(2,12-24)11-21-17(25)8-13-4-3-7-23(10-13)18-22-15-6-5-14(20)9-16(15)26-18/h5-6,9,13,24H,3-4,7-8,10-12H2,1-2H3,(H,21,25).

What are the key properties of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide?

2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide has a molecular weight of 379.89 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide is sourced from PubChem (CID 154815842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).