4-chloro-N-(3-methoxypropyl)-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide

C27H32ClN3O3 — CID 42843741

About 4-chloro-N-(3-methoxypropyl)-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide

4-chloro-N-(3-methoxypropyl)-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide (PubChem CID 42843741) has the molecular formula C27H32ClN3O3 and a molecular weight of 482.02 g/mol. Its IUPAC name is 4-chloro-N-(3-methoxypropyl)-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 4-chloro-N-(3-methoxypropyl)-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
• PubChem CID: 42843741
• Molecular Formula: C27H32ClN3O3
• Molecular Weight: 482.02 g/mol
• Exact Mass: 481.21
• IUPAC Name: 4-chloro-N-(3-methoxypropyl)-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
• SMILES: COCCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1C)C(=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C27H32ClN3O3/c1-20-9-6-7-17-31(20)27-24(25(29-34-27)21-10-4-3-5-11-21)19-30(16-8-18-33-2)26(32)22-12-14-23(28)15-13-22/h3-5,10-15,20H,6-9,16-19H2,1-2H3
• InChIKey: JNDHRNZGRCQJAS-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 58.81 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.02
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methoxypropyl)-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide?

The IUPAC name of 4-chloro-N-(3-methoxypropyl)-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide (CID 42843741) is 4-chloro-N-(3-methoxypropyl)-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide.

What is the SMILES notation for 4-chloro-N-(3-methoxypropyl)-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide?

The canonical SMILES for 4-chloro-N-(3-methoxypropyl)-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide is COCCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1C)C(=O)c1ccc(Cl)cc1.

What is the InChIKey of 4-chloro-N-(3-methoxypropyl)-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide?

The InChIKey is JNDHRNZGRCQJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN3O3/c1-20-9-6-7-17-31(20)27-24(25(29-34-27)21-10-4-3-5-11-21)19-30(16-8-18-33-2)26(32)22-12-14-23(28)15-13-22/h3-5,10-15,20H,6-9,16-19H2,1-2H3.

What are the key properties of 4-chloro-N-(3-methoxypropyl)-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide?

4-chloro-N-(3-methoxypropyl)-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide has a molecular weight of 482.02 g/mol, XLogP of 6.05, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-(3-methoxypropyl)-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide is sourced from PubChem (CID 42843741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).