2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide

C20H25N5O3 — CID 154569342

About 2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide

2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide (PubChem CID 154569342) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
• PubChem CID: 154569342
• Molecular Formula: C20H25N5O3
• Molecular Weight: 383.45 g/mol
• Exact Mass: 383.20
• IUPAC Name: 2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
• SMILES: COc1ccc2oc(N3CCCC(CC(=O)NCCc4cn[nH]c4)C3)nc2c1
• InChI: InChI=1S/C20H25N5O3/c1-27-16-4-5-18-17(10-16)24-20(28-18)25-8-2-3-14(13-25)9-19(26)21-7-6-15-11-22-23-12-15/h4-5,10-12,14H,2-3,6-9,13H2,1H3,(H,21,26)(H,22,23)
• InChIKey: FISFBWHDEXLTGK-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 96.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.45
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide?

The IUPAC name of 2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide (CID 154569342) is 2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide.

What is the SMILES notation for 2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide?

The canonical SMILES for 2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide is COc1ccc2oc(N3CCCC(CC(=O)NCCc4cn[nH]c4)C3)nc2c1.

What is the InChIKey of 2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide?

The InChIKey is FISFBWHDEXLTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-27-16-4-5-18-17(10-16)24-20(28-18)25-8-2-3-14(13-25)9-19(26)21-7-6-15-11-22-23-12-15/h4-5,10-12,14H,2-3,6-9,13H2,1H3,(H,21,26)(H,22,23).

What are the key properties of 2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide?

2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide has a molecular weight of 383.45 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 154569342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).