5-[(4-benzylpiperidin-1-yl)methyl]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide

C22H31N3O3 — CID 95203912

About 5-[(4-benzylpiperidin-1-yl)methyl]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide

5-[(4-benzylpiperidin-1-yl)methyl]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 95203912) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 5-[(4-benzylpiperidin-1-yl)methyl]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-benzylpiperidin-1-yl)methyl]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 95203912
• Molecular Formula: C22H31N3O3
• Molecular Weight: 385.51 g/mol
• Exact Mass: 385.24
• IUPAC Name: 5-[(4-benzylpiperidin-1-yl)methyl]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide
• SMILES: CC(C)[C@H](CO)NC(=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1
• InChI: InChI=1S/C22H31N3O3/c1-16(2)21(15-26)23-22(27)20-13-19(28-24-20)14-25-10-8-18(9-11-25)12-17-6-4-3-5-7-17/h3-7,13,16,18,21,26H,8-12,14-15H2,1-2H3,(H,23,27)/t21-/m0/s1
• InChIKey: MEZMZHPCFXNURW-NRFANRHFSA-N
• XLogP: 2.88
• TPSA: 78.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.51
LogP ≤ 5	2.88
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-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-[(4-benzylpiperidin-1-yl)methyl]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide (CID 95203912) is 5-[(4-benzylpiperidin-1-yl)methyl]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for 5-[(4-benzylpiperidin-1-yl)methyl]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide is CC(C)[C@H](CO)NC(=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1.

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

The InChIKey is MEZMZHPCFXNURW-NRFANRHFSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-16(2)21(15-26)23-22(27)20-13-19(28-24-20)14-25-10-8-18(9-11-25)12-17-6-4-3-5-7-17/h3-7,13,16,18,21,26H,8-12,14-15H2,1-2H3,(H,23,27)/t21-/m0/s1.

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

5-[(4-benzylpiperidin-1-yl)methyl]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 2.88, 8 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-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95203912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).