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

C18H10N2O6 — CID 5061611

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

2-(furan-2-yl)-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one (PubChem CID 5061611) has the molecular formula C18H10N2O6 and a molecular weight of 350.29 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one.

Molecular Properties

• Compound Name: 2-(furan-2-yl)-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
• PubChem CID: 5061611
• Molecular Formula: C18H10N2O6
• Molecular Weight: 350.29 g/mol
• Exact Mass: 350.05
• IUPAC Name: 2-(furan-2-yl)-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
• SMILES: O=C1OC(c2ccco2)=NC1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1
• InChI: InChI=1S/C18H10N2O6/c21-18-14(19-17(26-18)16-2-1-9-24-16)10-13-7-8-15(25-13)11-3-5-12(6-4-11)20(22)23/h1-10H
• InChIKey: RVSJSSGLGDWTFS-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 108.08 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.29
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one?

The IUPAC name of 2-(furan-2-yl)-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one (CID 5061611) is 2-(furan-2-yl)-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one.

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

The canonical SMILES for 2-(furan-2-yl)-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one is O=C1OC(c2ccco2)=NC1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1.

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

The InChIKey is RVSJSSGLGDWTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N2O6/c21-18-14(19-17(26-18)16-2-1-9-24-16)10-13-7-8-15(25-13)11-3-5-12(6-4-11)20(22)23/h1-10H.

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

2-(furan-2-yl)-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one has a molecular weight of 350.29 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(furan-2-yl)-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 5061611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).