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

C35H46N6O2 — CID 135174795

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

5-methyl-3-[3-[4-[4-methyl-3-[2-methyl-5-[4-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]piperazin-1-yl]phenyl]phenyl]piperazin-1-yl]propyl]-1,2-oxazole (PubChem CID 135174795) has the molecular formula C35H46N6O2 and a molecular weight of 582.79 g/mol. Its IUPAC name is 5-methyl-3-[3-[4-[4-methyl-3-[2-methyl-5-[4-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]piperazin-1-yl]phenyl]phenyl]piperazin-1-yl]propyl]-1,2-oxazole.

Molecular Properties

• Compound Name: 5-methyl-3-[3-[4-[4-methyl-3-[2-methyl-5-[4-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]piperazin-1-yl]phenyl]phenyl]piperazin-1-yl]propyl]-1,2-oxazole
• PubChem CID: 135174795
• Molecular Formula: C35H46N6O2
• Molecular Weight: 582.79 g/mol
• Exact Mass: 582.37
• IUPAC Name: 5-methyl-3-[3-[4-[4-methyl-3-[2-methyl-5-[4-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]piperazin-1-yl]phenyl]phenyl]piperazin-1-yl]propyl]-1,2-oxazole
• SMILES: Cc1cc(CCCN2CCN(c3ccc(C)c(-c4cc(N5CCN(CCc6cc(C)on6)CC5)ccc4C)c3)CC2)no1
• InChI: InChI=1S/C35H46N6O2/c1-26-7-9-32(40-18-14-38(15-19-40)12-5-6-30-22-28(3)42-36-30)24-34(26)35-25-33(10-8-27(35)2)41-20-16-39(17-21-41)13-11-31-23-29(4)43-37-31/h7-10,22-25H,5-6,11-21H2,1-4H3
• InChIKey: XKTFSVQGLMSARC-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 65.02 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.79
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-methyl-3-[3-[4-[4-methyl-3-[2-methyl-5-[4-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]piperazin-1-yl]phenyl]phenyl]piperazin-1-yl]propyl]-1,2-oxazole (CID 135174795) is 5-methyl-3-[3-[4-[4-methyl-3-[2-methyl-5-[4-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]piperazin-1-yl]phenyl]phenyl]piperazin-1-yl]propyl]-1,2-oxazole.

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

The canonical SMILES for 5-methyl-3-[3-[4-[4-methyl-3-[2-methyl-5-[4-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]piperazin-1-yl]phenyl]phenyl]piperazin-1-yl]propyl]-1,2-oxazole is Cc1cc(CCCN2CCN(c3ccc(C)c(-c4cc(N5CCN(CCc6cc(C)on6)CC5)ccc4C)c3)CC2)no1.

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

The InChIKey is XKTFSVQGLMSARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46N6O2/c1-26-7-9-32(40-18-14-38(15-19-40)12-5-6-30-22-28(3)42-36-30)24-34(26)35-25-33(10-8-27(35)2)41-20-16-39(17-21-41)13-11-31-23-29(4)43-37-31/h7-10,22-25H,5-6,11-21H2,1-4H3.

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

5-methyl-3-[3-[4-[4-methyl-3-[2-methyl-5-[4-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]piperazin-1-yl]phenyl]phenyl]piperazin-1-yl]propyl]-1,2-oxazole has a molecular weight of 582.79 g/mol, XLogP of 5.68, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-3-[3-[4-[4-methyl-3-[2-methyl-5-[4-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]piperazin-1-yl]phenyl]phenyl]piperazin-1-yl]propyl]-1,2-oxazole is sourced from PubChem (CID 135174795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).