5-[6-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hexyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione

C39H37N3O6 — CID 139722477

About 5-[6-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hexyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione

5-[6-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hexyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 139722477) has the molecular formula C39H37N3O6 and a molecular weight of 643.74 g/mol. Its IUPAC name is 5-[6-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hexyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[6-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hexyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione
• PubChem CID: 139722477
• Molecular Formula: C39H37N3O6
• Molecular Weight: 643.74 g/mol
• Exact Mass: 643.27
• IUPAC Name: 5-[6-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hexyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione
• SMILES: O=C1OC(CCCCCCc2ccc(OCc3coc(/C=C/c4ccccc4)n3)cc2)C(=O)N1Cc1coc(/C=C/c2ccccc2)n1
• InChI: InChI=1S/C39H37N3O6/c43-38-35(48-39(44)42(38)25-32-26-46-36(40-32)23-19-29-11-6-3-7-12-29)16-10-2-1-5-15-31-17-21-34(22-18-31)45-27-33-28-47-37(41-33)24-20-30-13-8-4-9-14-30/h3-4,6-9,11-14,17-24,26,28,35H,1-2,5,10,15-16,25,27H2/b23-19+,24-20+
• InChIKey: RUOCHAZRZJSJMZ-BLVCXSLXSA-N
• XLogP: 8.62
• TPSA: 107.90 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	643.74
LogP ≤ 5	8.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hexyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione?

The IUPAC name of 5-[6-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hexyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione (CID 139722477) is 5-[6-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hexyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione.

What is the SMILES notation for 5-[6-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hexyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione?

The canonical SMILES for 5-[6-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hexyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione is O=C1OC(CCCCCCc2ccc(OCc3coc(/C=C/c4ccccc4)n3)cc2)C(=O)N1Cc1coc(/C=C/c2ccccc2)n1.

What is the InChIKey of 5-[6-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hexyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione?

The InChIKey is RUOCHAZRZJSJMZ-BLVCXSLXSA-N. The full InChI is InChI=1S/C39H37N3O6/c43-38-35(48-39(44)42(38)25-32-26-46-36(40-32)23-19-29-11-6-3-7-12-29)16-10-2-1-5-15-31-17-21-34(22-18-31)45-27-33-28-47-37(41-33)24-20-30-13-8-4-9-14-30/h3-4,6-9,11-14,17-24,26,28,35H,1-2,5,10,15-16,25,27H2/b23-19+,24-20+.

What are the key properties of 5-[6-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hexyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione?

5-[6-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hexyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 643.74 g/mol, XLogP of 8.62, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hexyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 139722477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).