5-[2-[3-ethoxy-4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione

C38H42N4O6 — CID 139722463

About 5-[2-[3-ethoxy-4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione

5-[2-[3-ethoxy-4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione (PubChem CID 139722463) has the molecular formula C38H42N4O6 and a molecular weight of 650.78 g/mol. Its IUPAC name is 5-[2-[3-ethoxy-4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[2-[3-ethoxy-4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione
• PubChem CID: 139722463
• Molecular Formula: C38H42N4O6
• Molecular Weight: 650.78 g/mol
• Exact Mass: 650.31
• IUPAC Name: 5-[2-[3-ethoxy-4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione
• SMILES: CCOc1cc(CCC2OC(=O)N(CCCN3CCN(c4ccccc4)CC3)C2=O)ccc1OCc1coc(/C=C/c2ccccc2)n1
• InChI: InChI=1S/C38H42N4O6/c1-2-45-35-26-30(14-17-33(35)46-27-31-28-47-36(39-31)19-16-29-10-5-3-6-11-29)15-18-34-37(43)42(38(44)48-34)21-9-20-40-22-24-41(25-23-40)32-12-7-4-8-13-32/h3-8,10-14,16-17,19,26,28,34H,2,9,15,18,20-25,27H2,1H3/b19-16+
• InChIKey: RSMXVRKUZWVIEX-KNTRCKAVSA-N
• XLogP: 6.32
• TPSA: 97.58 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.78
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-ethoxy-4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione?

The IUPAC name of 5-[2-[3-ethoxy-4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione (CID 139722463) is 5-[2-[3-ethoxy-4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione.

What is the SMILES notation for 5-[2-[3-ethoxy-4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione?

The canonical SMILES for 5-[2-[3-ethoxy-4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione is CCOc1cc(CCC2OC(=O)N(CCCN3CCN(c4ccccc4)CC3)C2=O)ccc1OCc1coc(/C=C/c2ccccc2)n1.

What is the InChIKey of 5-[2-[3-ethoxy-4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione?

The InChIKey is RSMXVRKUZWVIEX-KNTRCKAVSA-N. The full InChI is InChI=1S/C38H42N4O6/c1-2-45-35-26-30(14-17-33(35)46-27-31-28-47-36(39-31)19-16-29-10-5-3-6-11-29)15-18-34-37(43)42(38(44)48-34)21-9-20-40-22-24-41(25-23-40)32-12-7-4-8-13-32/h3-8,10-14,16-17,19,26,28,34H,2,9,15,18,20-25,27H2,1H3/b19-16+.

What are the key properties of 5-[2-[3-ethoxy-4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione?

5-[2-[3-ethoxy-4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 650.78 g/mol, XLogP of 6.32, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[3-ethoxy-4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 139722463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).