(4Z)-4-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one

C29H23NO4 — CID 19674958

About (4Z)-4-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one

(4Z)-4-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one (PubChem CID 19674958) has the molecular formula C29H23NO4 and a molecular weight of 449.51 g/mol. Its IUPAC name is (4Z)-4-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one.

Molecular Properties

• Compound Name: (4Z)-4-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
• PubChem CID: 19674958
• Molecular Formula: C29H23NO4
• Molecular Weight: 449.51 g/mol
• Exact Mass: 449.16
• IUPAC Name: (4Z)-4-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
• SMILES: COc1cccc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)c1OCc1cccc(C)c1
• InChI: InChI=1S/C29H23NO4/c1-19-7-5-8-20(15-19)18-33-27-23(11-6-12-26(27)32-2)17-25-29(31)34-28(30-25)24-14-13-21-9-3-4-10-22(21)16-24/h3-17H,18H2,1-2H3/b25-17-
• InChIKey: UURNQEHZCDCSBP-UQQQWYQISA-N
• XLogP: 6.08
• TPSA: 57.12 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.51
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one?

The IUPAC name of (4Z)-4-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one (CID 19674958) is (4Z)-4-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one.

What is the SMILES notation for (4Z)-4-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one?

The canonical SMILES for (4Z)-4-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one is COc1cccc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)c1OCc1cccc(C)c1.

What is the InChIKey of (4Z)-4-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one?

The InChIKey is UURNQEHZCDCSBP-UQQQWYQISA-N. The full InChI is InChI=1S/C29H23NO4/c1-19-7-5-8-20(15-19)18-33-27-23(11-6-12-26(27)32-2)17-25-29(31)34-28(30-25)24-14-13-21-9-3-4-10-22(21)16-24/h3-17H,18H2,1-2H3/b25-17-.

What are the key properties of (4Z)-4-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one?

(4Z)-4-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one has a molecular weight of 449.51 g/mol, XLogP of 6.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z)-4-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one is sourced from PubChem (CID 19674958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).