N-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]propan-1-amine

C29H34N4O — CID 142679739

About N-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]propan-1-amine

N-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]propan-1-amine (PubChem CID 142679739) has the molecular formula C29H34N4O and a molecular weight of 454.62 g/mol. Its IUPAC name is N-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]propan-1-amine.

Molecular Properties

• Compound Name: N-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]propan-1-amine
• PubChem CID: 142679739
• Molecular Formula: C29H34N4O
• Molecular Weight: 454.62 g/mol
• Exact Mass: 454.27
• IUPAC Name: N-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]propan-1-amine
• SMILES: Cc1ccc(N2CCN(CCCN(C)Cc3cc(-c4cccc5ccccc45)no3)CC2)cc1
• InChI: InChI=1S/C29H34N4O/c1-23-11-13-25(14-12-23)33-19-17-32(18-20-33)16-6-15-31(2)22-26-21-29(30-34-26)28-10-5-8-24-7-3-4-9-27(24)28/h3-5,7-14,21H,6,15-20,22H2,1-2H3
• InChIKey: LBQVMBWJPVNMPX-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 35.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.62
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]propan-1-amine?

The IUPAC name of N-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]propan-1-amine (CID 142679739) is N-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]propan-1-amine.

What is the SMILES notation for N-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]propan-1-amine?

The canonical SMILES for N-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]propan-1-amine is Cc1ccc(N2CCN(CCCN(C)Cc3cc(-c4cccc5ccccc45)no3)CC2)cc1.

What is the InChIKey of N-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]propan-1-amine?

The InChIKey is LBQVMBWJPVNMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O/c1-23-11-13-25(14-12-23)33-19-17-32(18-20-33)16-6-15-31(2)22-26-21-29(30-34-26)28-10-5-8-24-7-3-4-9-27(24)28/h3-5,7-14,21H,6,15-20,22H2,1-2H3.

What are the key properties of N-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]propan-1-amine?

N-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]propan-1-amine has a molecular weight of 454.62 g/mol, XLogP of 5.45, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 142679739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).