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

C30H24ClNO4 — CID 19674623

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

(4Z)-4-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one (PubChem CID 19674623) has the molecular formula C30H24ClNO4 and a molecular weight of 497.98 g/mol. Its IUPAC name is (4Z)-4-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one.

Molecular Properties

• Compound Name: (4Z)-4-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
• PubChem CID: 19674623
• Molecular Formula: C30H24ClNO4
• Molecular Weight: 497.98 g/mol
• Exact Mass: 497.14
• IUPAC Name: (4Z)-4-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
• SMILES: CCOc1cc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)cc(Cl)c1OCc1cccc(C)c1
• InChI: InChI=1S/C30H24ClNO4/c1-3-34-27-16-21(14-25(31)28(27)35-18-20-8-6-7-19(2)13-20)15-26-30(33)36-29(32-26)24-12-11-22-9-4-5-10-23(22)17-24/h4-17H,3,18H2,1-2H3/b26-15-
• InChIKey: SLWSXNUNWBWKCQ-YSMPRRRNSA-N
• XLogP: 7.12
• TPSA: 57.12 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.98
LogP ≤ 5	7.12
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-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one?

The IUPAC name of (4Z)-4-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one (CID 19674623) is (4Z)-4-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one.

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

The canonical SMILES for (4Z)-4-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one is CCOc1cc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)cc(Cl)c1OCc1cccc(C)c1.

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

The InChIKey is SLWSXNUNWBWKCQ-YSMPRRRNSA-N. The full InChI is InChI=1S/C30H24ClNO4/c1-3-34-27-16-21(14-25(31)28(27)35-18-20-8-6-7-19(2)13-20)15-26-30(33)36-29(32-26)24-12-11-22-9-4-5-10-23(22)17-24/h4-17H,3,18H2,1-2H3/b26-15-.

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

(4Z)-4-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one has a molecular weight of 497.98 g/mol, XLogP of 7.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z)-4-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one is sourced from PubChem (CID 19674623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).