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

C36H31N3O6 — CID 67718322

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

5-[3-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 67718322) has the molecular formula C36H31N3O6 and a molecular weight of 601.66 g/mol. Its IUPAC name is 5-[3-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[3-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione
• PubChem CID: 67718322
• Molecular Formula: C36H31N3O6
• Molecular Weight: 601.66 g/mol
• Exact Mass: 601.22
• IUPAC Name: 5-[3-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione
• SMILES: O=C1OC(CCCc2ccc(OCc3coc(/C=C/c4ccccc4)n3)cc2)C(=O)N1Cc1coc(/C=C/c2ccccc2)n1
• InChI: InChI=1S/C36H31N3O6/c40-35-32(45-36(41)39(35)22-29-23-43-33(37-29)20-16-26-8-3-1-4-9-26)13-7-12-28-14-18-31(19-15-28)42-24-30-25-44-34(38-30)21-17-27-10-5-2-6-11-27/h1-6,8-11,14-21,23,25,32H,7,12-13,22,24H2/b20-16+,21-17+
• InChIKey: IZEISBBUCOBDFO-NWILIBCHSA-N
• XLogP: 7.45
• TPSA: 107.90 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.66
LogP ≤ 5	7.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[3-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione (CID 67718322) is 5-[3-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione.

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

The canonical SMILES for 5-[3-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione is O=C1OC(CCCc2ccc(OCc3coc(/C=C/c4ccccc4)n3)cc2)C(=O)N1Cc1coc(/C=C/c2ccccc2)n1.

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

The InChIKey is IZEISBBUCOBDFO-NWILIBCHSA-N. The full InChI is InChI=1S/C36H31N3O6/c40-35-32(45-36(41)39(35)22-29-23-43-33(37-29)20-16-26-8-3-1-4-9-26)13-7-12-28-14-18-31(19-15-28)42-24-30-25-44-34(38-30)21-17-27-10-5-2-6-11-27/h1-6,8-11,14-21,23,25,32H,7,12-13,22,24H2/b20-16+,21-17+.

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

5-[3-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 601.66 g/mol, XLogP of 7.45, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 67718322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).