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

C23H18N2O5 — CID 24840838

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

(5E)-5-[(E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,4-dione (PubChem CID 24840838) has the molecular formula C23H18N2O5 and a molecular weight of 402.41 g/mol. Its IUPAC name is (5E)-5-[(E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5E)-5-[(E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,4-dione
• PubChem CID: 24840838
• Molecular Formula: C23H18N2O5
• Molecular Weight: 402.41 g/mol
• Exact Mass: 402.12
• IUPAC Name: (5E)-5-[(E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,4-dione
• SMILES: Cc1oc(-c2ccccc2)nc1COc1ccc(/C=C/C=C2/OC(=O)NC2=O)cc1
• InChI: InChI=1S/C23H18N2O5/c1-15-19(24-22(29-15)17-7-3-2-4-8-17)14-28-18-12-10-16(11-13-18)6-5-9-20-21(26)25-23(27)30-20/h2-13H,14H2,1H3,(H,25,26,27)/b6-5+,20-9+
• InChIKey: XJRUMXNKTPUPQQ-UVZAAPLCSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (5E)-5-[(E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,4-dione (CID 24840838) is (5E)-5-[(E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,4-dione.

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

The canonical SMILES for (5E)-5-[(E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,4-dione is Cc1oc(-c2ccccc2)nc1COc1ccc(/C=C/C=C2/OC(=O)NC2=O)cc1.

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

The InChIKey is XJRUMXNKTPUPQQ-UVZAAPLCSA-N. The full InChI is InChI=1S/C23H18N2O5/c1-15-19(24-22(29-15)17-7-3-2-4-8-17)14-28-18-12-10-16(11-13-18)6-5-9-20-21(26)25-23(27)30-20/h2-13H,14H2,1H3,(H,25,26,27)/b6-5+,20-9+.

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

(5E)-5-[(E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,4-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 (5E)-5-[(E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 24840838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).