(4Z)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one

C18H9Cl2NO3S — CID 6104686

About (4Z)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one

(4Z)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one (PubChem CID 6104686) has the molecular formula C18H9Cl2NO3S and a molecular weight of 390.25 g/mol. Its IUPAC name is (4Z)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one.

Molecular Properties

• Compound Name: (4Z)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
• PubChem CID: 6104686
• Molecular Formula: C18H9Cl2NO3S
• Molecular Weight: 390.25 g/mol
• Exact Mass: 388.97
• IUPAC Name: (4Z)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
• SMILES: O=C1OC(c2cccs2)=N/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1
• InChI: InChI=1S/C18H9Cl2NO3S/c19-10-3-5-12(13(20)8-10)15-6-4-11(23-15)9-14-18(22)24-17(21-14)16-2-1-7-25-16/h1-9H/b14-9-
• InChIKey: OKGBQZWYDBDMIO-ZROIWOOFSA-N
• XLogP: 5.66
• TPSA: 51.80 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	390.25
LogP ≤ 5	5.66
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-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one?

The IUPAC name of (4Z)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one (CID 6104686) is (4Z)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one.

What is the SMILES notation for (4Z)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one?

The canonical SMILES for (4Z)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one is O=C1OC(c2cccs2)=N/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1.

What is the InChIKey of (4Z)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one?

The InChIKey is OKGBQZWYDBDMIO-ZROIWOOFSA-N. The full InChI is InChI=1S/C18H9Cl2NO3S/c19-10-3-5-12(13(20)8-10)15-6-4-11(23-15)9-14-18(22)24-17(21-14)16-2-1-7-25-16/h1-9H/b14-9-.

What are the key properties of (4Z)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one?

(4Z)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one has a molecular weight of 390.25 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one is sourced from PubChem (CID 6104686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).