5-[(4-benzylpiperidin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide

C22H27N5O2 — CID 42096928

About 5-[(4-benzylpiperidin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide

5-[(4-benzylpiperidin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 42096928) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 5-[(4-benzylpiperidin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-benzylpiperidin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 42096928
• Molecular Formula: C22H27N5O2
• Molecular Weight: 393.49 g/mol
• Exact Mass: 393.22
• IUPAC Name: 5-[(4-benzylpiperidin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1cc(CNC(=O)c2cc(CN3CCC(Cc4ccccc4)CC3)on2)n[nH]1
• InChI: InChI=1S/C22H27N5O2/c1-16-11-19(25-24-16)14-23-22(28)21-13-20(29-26-21)15-27-9-7-18(8-10-27)12-17-5-3-2-4-6-17/h2-6,11,13,18H,7-10,12,14-15H2,1H3,(H,23,28)(H,24,25)
• InChIKey: WJLWGNNGUASDJS-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 87.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.49
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(4-benzylpiperidin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-[(4-benzylpiperidin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide (CID 42096928) is 5-[(4-benzylpiperidin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-[(4-benzylpiperidin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-[(4-benzylpiperidin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide is Cc1cc(CNC(=O)c2cc(CN3CCC(Cc4ccccc4)CC3)on2)n[nH]1.

What is the InChIKey of 5-[(4-benzylpiperidin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?

The InChIKey is WJLWGNNGUASDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-16-11-19(25-24-16)14-23-22(28)21-13-20(29-26-21)15-27-9-7-18(8-10-27)12-17-5-3-2-4-6-17/h2-6,11,13,18H,7-10,12,14-15H2,1H3,(H,23,28)(H,24,25).

What are the key properties of 5-[(4-benzylpiperidin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?

5-[(4-benzylpiperidin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-benzylpiperidin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42096928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).