2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide

C20H24ClN5O2 — CID 154571479

About 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide

2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide (PubChem CID 154571479) 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-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide
• PubChem CID: 154571479
• 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-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide
• SMILES: Cc1c(CNC(=O)CC2CCCN(c3nc4ccc(Cl)cc4o3)C2)cnn1C
• InChI: InChI=1S/C20H24ClN5O2/c1-13-15(11-23-25(13)2)10-22-19(27)8-14-4-3-7-26(12-14)20-24-17-6-5-16(21)9-18(17)28-20/h5-6,9,11,14H,3-4,7-8,10,12H2,1-2H3,(H,22,27)
• InChIKey: LKFULLCCCWUBCU-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 76.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.90
LogP ≤ 5	3.45
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-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide?

The IUPAC name of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide (CID 154571479) is 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide.

What is the SMILES notation for 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide?

The canonical SMILES for 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide is Cc1c(CNC(=O)CC2CCCN(c3nc4ccc(Cl)cc4o3)C2)cnn1C.

What is the InChIKey of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide?

The InChIKey is LKFULLCCCWUBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O2/c1-13-15(11-23-25(13)2)10-22-19(27)8-14-4-3-7-26(12-14)20-24-17-6-5-16(21)9-18(17)28-20/h5-6,9,11,14H,3-4,7-8,10,12H2,1-2H3,(H,22,27).

What are the key properties of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide?

2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide has a molecular weight of 401.90 g/mol, XLogP of 3.45, 5 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-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 154571479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).