1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide

C27H32ClN3O2 — CID 20859995

About 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide

1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide (PubChem CID 20859995) has the molecular formula C27H32ClN3O2 and a molecular weight of 466.03 g/mol. Its IUPAC name is 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide
• PubChem CID: 20859995
• Molecular Formula: C27H32ClN3O2
• Molecular Weight: 466.03 g/mol
• Exact Mass: 465.22
• IUPAC Name: 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide
• SMILES: Cc1oc(-c2cccc(Cl)c2)nc1CN1CCCC(C(=O)NC(C)CCc2ccccc2)C1
• InChI: InChI=1S/C27H32ClN3O2/c1-19(13-14-21-8-4-3-5-9-21)29-26(32)23-11-7-15-31(17-23)18-25-20(2)33-27(30-25)22-10-6-12-24(28)16-22/h3-6,8-10,12,16,19,23H,7,11,13-15,17-18H2,1-2H3,(H,29,32)
• InChIKey: VRQBKCSQGRHCOL-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.03
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide?

The IUPAC name of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide (CID 20859995) is 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide.

What is the SMILES notation for 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide?

The canonical SMILES for 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide is Cc1oc(-c2cccc(Cl)c2)nc1CN1CCCC(C(=O)NC(C)CCc2ccccc2)C1.

What is the InChIKey of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide?

The InChIKey is VRQBKCSQGRHCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN3O2/c1-19(13-14-21-8-4-3-5-9-21)29-26(32)23-11-7-15-31(17-23)18-25-20(2)33-27(30-25)22-10-6-12-24(28)16-22/h3-6,8-10,12,16,19,23H,7,11,13-15,17-18H2,1-2H3,(H,29,32).

What are the key properties of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide?

1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide has a molecular weight of 466.03 g/mol, XLogP of 5.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 20859995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).