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

C37H33N3O6 — CID 139722450

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

5-[4-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 139722450) has the molecular formula C37H33N3O6 and a molecular weight of 615.69 g/mol. Its IUPAC name is 5-[4-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[4-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione
• PubChem CID: 139722450
• Molecular Formula: C37H33N3O6
• Molecular Weight: 615.69 g/mol
• Exact Mass: 615.24
• IUPAC Name: 5-[4-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione
• SMILES: O=C1OC(CCCCc2ccc(OCc3coc(/C=C/c4ccccc4)n3)cc2)C(=O)N1Cc1coc(/C=C/c2ccccc2)n1
• InChI: InChI=1S/C37H33N3O6/c41-36-33(46-37(42)40(36)23-30-24-44-34(38-30)21-17-27-9-3-1-4-10-27)14-8-7-13-29-15-19-32(20-16-29)43-25-31-26-45-35(39-31)22-18-28-11-5-2-6-12-28/h1-6,9-12,15-22,24,26,33H,7-8,13-14,23,25H2/b21-17+,22-18+
• InChIKey: XKSKSOGNFSGULL-KSTNYAOJSA-N
• XLogP: 7.84
• TPSA: 107.90 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.69
LogP ≤ 5	7.84
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-[4-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione?

The IUPAC name of 5-[4-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione (CID 139722450) is 5-[4-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione.

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

The canonical SMILES for 5-[4-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione is O=C1OC(CCCCc2ccc(OCc3coc(/C=C/c4ccccc4)n3)cc2)C(=O)N1Cc1coc(/C=C/c2ccccc2)n1.

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

The InChIKey is XKSKSOGNFSGULL-KSTNYAOJSA-N. The full InChI is InChI=1S/C37H33N3O6/c41-36-33(46-37(42)40(36)23-30-24-44-34(38-30)21-17-27-9-3-1-4-10-27)14-8-7-13-29-15-19-32(20-16-29)43-25-31-26-45-35(39-31)22-18-28-11-5-2-6-12-28/h1-6,9-12,15-22,24,26,33H,7-8,13-14,23,25H2/b21-17+,22-18+.

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

5-[4-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 615.69 g/mol, XLogP of 7.84, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 139722450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).