1-[[5-methyl-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide

C25H38N4O3 — CID 138961844

About 1-[[5-methyl-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide

1-[[5-methyl-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide (PubChem CID 138961844) has the molecular formula C25H38N4O3 and a molecular weight of 442.60 g/mol. Its IUPAC name is 1-[[5-methyl-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[[5-methyl-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
• PubChem CID: 138961844
• Molecular Formula: C25H38N4O3
• Molecular Weight: 442.60 g/mol
• Exact Mass: 442.29
• IUPAC Name: 1-[[5-methyl-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
• SMILES: Cc1ccccc1C1=NC(CN2CCC(C(=O)NCCCN3CCOCC3)CC2)C(C)O1
• InChI: InChI=1S/C25H38N4O3/c1-19-6-3-4-7-22(19)25-27-23(20(2)32-25)18-29-12-8-21(9-13-29)24(30)26-10-5-11-28-14-16-31-17-15-28/h3-4,6-7,20-21,23H,5,8-18H2,1-2H3,(H,26,30)
• InChIKey: VGABWLQSRUZYGO-UHFFFAOYSA-N
• XLogP: 2.08
• TPSA: 66.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.60
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1-[[5-methyl-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide (CID 138961844) is 1-[[5-methyl-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide.

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

The canonical SMILES for 1-[[5-methyl-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide is Cc1ccccc1C1=NC(CN2CCC(C(=O)NCCCN3CCOCC3)CC2)C(C)O1.

What is the InChIKey of 1-[[5-methyl-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?

The InChIKey is VGABWLQSRUZYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O3/c1-19-6-3-4-7-22(19)25-27-23(20(2)32-25)18-29-12-8-21(9-13-29)24(30)26-10-5-11-28-14-16-31-17-15-28/h3-4,6-7,20-21,23H,5,8-18H2,1-2H3,(H,26,30).

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

1-[[5-methyl-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide has a molecular weight of 442.60 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-methyl-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 138961844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).