5-methyl-3-[3-[2-[1-[2-[[5-[2-[4-[4-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]propyl]piperazin-1-yl]phenyl]ethyl]-1,2-oxazol-3-yl]methoxy]ethyl]-4-(4-methylphenyl)piperazin-2-yl]-4-(4-methylphenyl)piperazin-1-yl]propyl]-1,2-oxazole

C55H73N9O5 — CID 135179267

About 5-methyl-3-[3-[2-[1-[2-[[5-[2-[4-[4-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]propyl]piperazin-1-yl]phenyl]ethyl]-1,2-oxazol-3-yl]methoxy]ethyl]-4-(4-methylphenyl)piperazin-2-yl]-4-(4-methylphenyl)piperazin-1-yl]propyl]-1,2-oxazole

5-methyl-3-[3-[2-[1-[2-[[5-[2-[4-[4-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]propyl]piperazin-1-yl]phenyl]ethyl]-1,2-oxazol-3-yl]methoxy]ethyl]-4-(4-methylphenyl)piperazin-2-yl]-4-(4-methylphenyl)piperazin-1-yl]propyl]-1,2-oxazole (PubChem CID 135179267) has the molecular formula C55H73N9O5 and a molecular weight of 940.25 g/mol. Its IUPAC name is 5-methyl-3-[3-[2-[1-[2-[[5-[2-[4-[4-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]propyl]piperazin-1-yl]phenyl]ethyl]-1,2-oxazol-3-yl]methoxy]ethyl]-4-(4-methylphenyl)piperazin-2-yl]-4-(4-methylphenyl)piperazin-1-yl]propyl]-1,2-oxazole.

Molecular Properties

• Compound Name: 5-methyl-3-[3-[2-[1-[2-[[5-[2-[4-[4-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]propyl]piperazin-1-yl]phenyl]ethyl]-1,2-oxazol-3-yl]methoxy]ethyl]-4-(4-methylphenyl)piperazin-2-yl]-4-(4-methylphenyl)piperazin-1-yl]propyl]-1,2-oxazole
• PubChem CID: 135179267
• Molecular Formula: C55H73N9O5
• Molecular Weight: 940.25 g/mol
• Exact Mass: 939.57
• IUPAC Name: 5-methyl-3-[3-[2-[1-[2-[[5-[2-[4-[4-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]propyl]piperazin-1-yl]phenyl]ethyl]-1,2-oxazol-3-yl]methoxy]ethyl]-4-(4-methylphenyl)piperazin-2-yl]-4-(4-methylphenyl)piperazin-1-yl]propyl]-1,2-oxazole
• SMILES: Cc1ccc(N2CCN(CCCc3cc(C)on3)C(C3CN(c4ccc(C)cc4)CCN3CCOCc3cc(CCc4ccc(N5CCN(CCCOCc6cc(C)on6)CC5)cc4)on3)C2)cc1
• InChI: InChI=1S/C55H73N9O5/c1-42-8-15-51(16-9-42)63-30-28-61(23-5-7-47-35-44(3)67-56-47)54(38-63)55-39-64(52-17-10-43(2)11-18-52)31-29-62(55)32-34-66-41-49-37-53(69-58-49)21-14-46-12-19-50(20-13-46)60-26-24-59(25-27-60)22-6-33-65-40-48-36-45(4)68-57-48/h8-13,15-20,35-37,54-55H,5-7,14,21-34,38-41H2,1-4H3
• InChIKey: FSOHEPYLNFOTNE-UHFFFAOYSA-N
• XLogP: 7.93
• TPSA: 115.99 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 22
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	940.25
LogP ≤ 5	7.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[3-[2-[1-[2-[[5-[2-[4-[4-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]propyl]piperazin-1-yl]phenyl]ethyl]-1,2-oxazol-3-yl]methoxy]ethyl]-4-(4-methylphenyl)piperazin-2-yl]-4-(4-methylphenyl)piperazin-1-yl]propyl]-1,2-oxazole?

The IUPAC name of 5-methyl-3-[3-[2-[1-[2-[[5-[2-[4-[4-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]propyl]piperazin-1-yl]phenyl]ethyl]-1,2-oxazol-3-yl]methoxy]ethyl]-4-(4-methylphenyl)piperazin-2-yl]-4-(4-methylphenyl)piperazin-1-yl]propyl]-1,2-oxazole (CID 135179267) is 5-methyl-3-[3-[2-[1-[2-[[5-[2-[4-[4-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]propyl]piperazin-1-yl]phenyl]ethyl]-1,2-oxazol-3-yl]methoxy]ethyl]-4-(4-methylphenyl)piperazin-2-yl]-4-(4-methylphenyl)piperazin-1-yl]propyl]-1,2-oxazole.

What is the SMILES notation for 5-methyl-3-[3-[2-[1-[2-[[5-[2-[4-[4-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]propyl]piperazin-1-yl]phenyl]ethyl]-1,2-oxazol-3-yl]methoxy]ethyl]-4-(4-methylphenyl)piperazin-2-yl]-4-(4-methylphenyl)piperazin-1-yl]propyl]-1,2-oxazole?

The canonical SMILES for 5-methyl-3-[3-[2-[1-[2-[[5-[2-[4-[4-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]propyl]piperazin-1-yl]phenyl]ethyl]-1,2-oxazol-3-yl]methoxy]ethyl]-4-(4-methylphenyl)piperazin-2-yl]-4-(4-methylphenyl)piperazin-1-yl]propyl]-1,2-oxazole is Cc1ccc(N2CCN(CCCc3cc(C)on3)C(C3CN(c4ccc(C)cc4)CCN3CCOCc3cc(CCc4ccc(N5CCN(CCCOCc6cc(C)on6)CC5)cc4)on3)C2)cc1.

What is the InChIKey of 5-methyl-3-[3-[2-[1-[2-[[5-[2-[4-[4-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]propyl]piperazin-1-yl]phenyl]ethyl]-1,2-oxazol-3-yl]methoxy]ethyl]-4-(4-methylphenyl)piperazin-2-yl]-4-(4-methylphenyl)piperazin-1-yl]propyl]-1,2-oxazole?

The InChIKey is FSOHEPYLNFOTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H73N9O5/c1-42-8-15-51(16-9-42)63-30-28-61(23-5-7-47-35-44(3)67-56-47)54(38-63)55-39-64(52-17-10-43(2)11-18-52)31-29-62(55)32-34-66-41-49-37-53(69-58-49)21-14-46-12-19-50(20-13-46)60-26-24-59(25-27-60)22-6-33-65-40-48-36-45(4)68-57-48/h8-13,15-20,35-37,54-55H,5-7,14,21-34,38-41H2,1-4H3.

What are the key properties of 5-methyl-3-[3-[2-[1-[2-[[5-[2-[4-[4-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]propyl]piperazin-1-yl]phenyl]ethyl]-1,2-oxazol-3-yl]methoxy]ethyl]-4-(4-methylphenyl)piperazin-2-yl]-4-(4-methylphenyl)piperazin-1-yl]propyl]-1,2-oxazole?

5-methyl-3-[3-[2-[1-[2-[[5-[2-[4-[4-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]propyl]piperazin-1-yl]phenyl]ethyl]-1,2-oxazol-3-yl]methoxy]ethyl]-4-(4-methylphenyl)piperazin-2-yl]-4-(4-methylphenyl)piperazin-1-yl]propyl]-1,2-oxazole has a molecular weight of 940.25 g/mol, XLogP of 7.93, 22 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-3-[3-[2-[1-[2-[[5-[2-[4-[4-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]propyl]piperazin-1-yl]phenyl]ethyl]-1,2-oxazol-3-yl]methoxy]ethyl]-4-(4-methylphenyl)piperazin-2-yl]-4-(4-methylphenyl)piperazin-1-yl]propyl]-1,2-oxazole is sourced from PubChem (CID 135179267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).