ethyl (2E,4E)-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]penta-2,4-dienoate

C24H23NO4 — CID 86750133

About ethyl (2E,4E)-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]penta-2,4-dienoate

ethyl (2E,4E)-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]penta-2,4-dienoate (PubChem CID 86750133) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is ethyl (2E,4E)-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]penta-2,4-dienoate.

Molecular Properties

• Compound Name: ethyl (2E,4E)-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]penta-2,4-dienoate
• PubChem CID: 86750133
• Molecular Formula: C24H23NO4
• Molecular Weight: 389.45 g/mol
• Exact Mass: 389.16
• IUPAC Name: ethyl (2E,4E)-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]penta-2,4-dienoate
• SMILES: CCOC(=O)/C=C/C=C/c1ccc(OCc2nc(-c3ccccc3)oc2C)cc1
• InChI: InChI=1S/C24H23NO4/c1-3-27-23(26)12-8-7-9-19-13-15-21(16-14-19)28-17-22-18(2)29-24(25-22)20-10-5-4-6-11-20/h4-16H,3,17H2,1-2H3/b9-7+,12-8+
• InChIKey: MKXZMPZJTVAINV-BRVZEXMBSA-N
• XLogP: 5.36
• TPSA: 61.56 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	389.45
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4E)-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]penta-2,4-dienoate?

The IUPAC name of ethyl (2E,4E)-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]penta-2,4-dienoate (CID 86750133) is ethyl (2E,4E)-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]penta-2,4-dienoate.

What is the SMILES notation for ethyl (2E,4E)-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]penta-2,4-dienoate?

The canonical SMILES for ethyl (2E,4E)-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]penta-2,4-dienoate is CCOC(=O)/C=C/C=C/c1ccc(OCc2nc(-c3ccccc3)oc2C)cc1.

What is the InChIKey of ethyl (2E,4E)-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]penta-2,4-dienoate?

The InChIKey is MKXZMPZJTVAINV-BRVZEXMBSA-N. The full InChI is InChI=1S/C24H23NO4/c1-3-27-23(26)12-8-7-9-19-13-15-21(16-14-19)28-17-22-18(2)29-24(25-22)20-10-5-4-6-11-20/h4-16H,3,17H2,1-2H3/b9-7+,12-8+.

What are the key properties of ethyl (2E,4E)-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]penta-2,4-dienoate?

ethyl (2E,4E)-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]penta-2,4-dienoate has a molecular weight of 389.45 g/mol, XLogP of 5.36, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2E,4E)-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]penta-2,4-dienoate is sourced from PubChem (CID 86750133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).