2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5-[4-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole

C38H44N6O2 — CID 70684574

About 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5-[4-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole

2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5-[4-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole (PubChem CID 70684574) has the molecular formula C38H44N6O2 and a molecular weight of 616.81 g/mol. Its IUPAC name is 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5-[4-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5-[4-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole
• PubChem CID: 70684574
• Molecular Formula: C38H44N6O2
• Molecular Weight: 616.81 g/mol
• Exact Mass: 616.35
• IUPAC Name: 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5-[4-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole
• SMILES: CN1CCN(CCc2ccc(-c3ncc(-c4ccc(-c5cnc(-c6ccc(CCN7CCN(C)CC7)cc6)o5)cc4)o3)cc2)CC1
• InChI: InChI=1S/C38H44N6O2/c1-41-19-23-43(24-20-41)17-15-29-3-7-33(8-4-29)37-39-27-35(45-37)31-11-13-32(14-12-31)36-28-40-38(46-36)34-9-5-30(6-10-34)16-18-44-25-21-42(2)22-26-44/h3-14,27-28H,15-26H2,1-2H3
• InChIKey: DYGPHMHUCWNVMG-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 65.02 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.81
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5-[4-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole?

The IUPAC name of 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5-[4-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole (CID 70684574) is 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5-[4-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole.

What is the SMILES notation for 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5-[4-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole?

The canonical SMILES for 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5-[4-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole is CN1CCN(CCc2ccc(-c3ncc(-c4ccc(-c5cnc(-c6ccc(CCN7CCN(C)CC7)cc6)o5)cc4)o3)cc2)CC1.

What is the InChIKey of 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5-[4-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole?

The InChIKey is DYGPHMHUCWNVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H44N6O2/c1-41-19-23-43(24-20-41)17-15-29-3-7-33(8-4-29)37-39-27-35(45-37)31-11-13-32(14-12-31)36-28-40-38(46-36)34-9-5-30(6-10-34)16-18-44-25-21-42(2)22-26-44/h3-14,27-28H,15-26H2,1-2H3.

What are the key properties of 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5-[4-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole?

2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5-[4-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole has a molecular weight of 616.81 g/mol, XLogP of 5.91, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5-[4-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole is sourced from PubChem (CID 70684574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).