4-[3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,5-dione

C23H18N2O5 — CID 173242283

About 4-[3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,5-dione

4-[3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,5-dione (PubChem CID 173242283) has the molecular formula C23H18N2O5 and a molecular weight of 402.41 g/mol. Its IUPAC name is 4-[3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,5-dione.

Molecular Properties

• Compound Name: 4-[3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,5-dione
• PubChem CID: 173242283
• Molecular Formula: C23H18N2O5
• Molecular Weight: 402.41 g/mol
• Exact Mass: 402.12
• IUPAC Name: 4-[3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,5-dione
• SMILES: Cc1oc(-c2ccccc2)nc1COc1cccc(C=CC=C2NC(=O)OC2=O)c1
• InChI: InChI=1S/C23H18N2O5/c1-15-20(24-21(29-15)17-9-3-2-4-10-17)14-28-18-11-5-7-16(13-18)8-6-12-19-22(26)30-23(27)25-19/h2-13H,14H2,1H3,(H,25,27)
• InChIKey: OXVYIXHKCSSIAV-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 90.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.41
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 4-[3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,5-dione (CID 173242283) is 4-[3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,5-dione.

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

The canonical SMILES for 4-[3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,5-dione is Cc1oc(-c2ccccc2)nc1COc1cccc(C=CC=C2NC(=O)OC2=O)c1.

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

The InChIKey is OXVYIXHKCSSIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O5/c1-15-20(24-21(29-15)17-9-3-2-4-10-17)14-28-18-11-5-7-16(13-18)8-6-12-19-22(26)30-23(27)25-19/h2-13H,14H2,1H3,(H,25,27).

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

4-[3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,5-dione has a molecular weight of 402.41 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 173242283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).