2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(5-methylpyrazol-1-yl)ethyl]acetamide

C20H24ClN5O2 — CID 155499677

About 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(5-methylpyrazol-1-yl)ethyl]acetamide

2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(5-methylpyrazol-1-yl)ethyl]acetamide (PubChem CID 155499677) has the molecular formula C20H24ClN5O2 and a molecular weight of 401.90 g/mol. Its IUPAC name is 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(5-methylpyrazol-1-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(5-methylpyrazol-1-yl)ethyl]acetamide
• PubChem CID: 155499677
• Molecular Formula: C20H24ClN5O2
• Molecular Weight: 401.90 g/mol
• Exact Mass: 401.16
• IUPAC Name: 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(5-methylpyrazol-1-yl)ethyl]acetamide
• SMILES: Cc1ccnn1CCNC(=O)CC1CCCN(c2nc3ccc(Cl)cc3o2)C1
• InChI: InChI=1S/C20H24ClN5O2/c1-14-6-7-23-26(14)10-8-22-19(27)11-15-3-2-9-25(13-15)20-24-17-5-4-16(21)12-18(17)28-20/h4-7,12,15H,2-3,8-11,13H2,1H3,(H,22,27)
• InChIKey: FNTFFCNTQCJUTJ-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 76.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.90
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(5-methylpyrazol-1-yl)ethyl]acetamide?

The IUPAC name of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(5-methylpyrazol-1-yl)ethyl]acetamide (CID 155499677) is 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(5-methylpyrazol-1-yl)ethyl]acetamide.

What is the SMILES notation for 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(5-methylpyrazol-1-yl)ethyl]acetamide?

The canonical SMILES for 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(5-methylpyrazol-1-yl)ethyl]acetamide is Cc1ccnn1CCNC(=O)CC1CCCN(c2nc3ccc(Cl)cc3o2)C1.

What is the InChIKey of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(5-methylpyrazol-1-yl)ethyl]acetamide?

The InChIKey is FNTFFCNTQCJUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O2/c1-14-6-7-23-26(14)10-8-22-19(27)11-15-3-2-9-25(13-15)20-24-17-5-4-16(21)12-18(17)28-20/h4-7,12,15H,2-3,8-11,13H2,1H3,(H,22,27).

What are the key properties of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(5-methylpyrazol-1-yl)ethyl]acetamide?

2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(5-methylpyrazol-1-yl)ethyl]acetamide has a molecular weight of 401.90 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-[2-(5-methylpyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 155499677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).