N,N'-bis[(Z)-[5-(4-hydroxy-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide

C24H16N6O10 — CID 135708521

About N,N'-bis[(Z)-[5-(4-hydroxy-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide

N,N'-bis[(Z)-[5-(4-hydroxy-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide (PubChem CID 135708521) has the molecular formula C24H16N6O10 and a molecular weight of 548.42 g/mol. Its IUPAC name is N,N'-bis[(Z)-[5-(4-hydroxy-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide.

Molecular Properties

• Compound Name: N,N'-bis[(Z)-[5-(4-hydroxy-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide
• PubChem CID: 135708521
• Molecular Formula: C24H16N6O10
• Molecular Weight: 548.42 g/mol
• Exact Mass: 548.09
• IUPAC Name: N,N'-bis[(Z)-[5-(4-hydroxy-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide
• SMILES: O=C(N/N=C\c1ccc(-c2ccc(O)c([N+](=O)[O-])c2)o1)C(=O)N/N=C\c1ccc(-c2ccc(O)c([N+](=O)[O-])c2)o1
• InChI: InChI=1S/C24H16N6O10/c31-19-5-1-13(9-17(19)29(35)36)21-7-3-15(39-21)11-25-27-23(33)24(34)28-26-12-16-4-8-22(40-16)14-2-6-20(32)18(10-14)30(37)38/h1-12,31-32H,(H,27,33)(H,28,34)/b25-11-,26-12-
• InChIKey: BSPWGJOMCQPKOY-RSKRUZOQSA-N
• XLogP: 3.03
• TPSA: 235.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.42
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_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 N,N'-bis[(Z)-[5-(4-hydroxy-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide?

The IUPAC name of N,N'-bis[(Z)-[5-(4-hydroxy-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide (CID 135708521) is N,N'-bis[(Z)-[5-(4-hydroxy-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide.

What is the SMILES notation for N,N'-bis[(Z)-[5-(4-hydroxy-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide?

The canonical SMILES for N,N'-bis[(Z)-[5-(4-hydroxy-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide is O=C(N/N=C\c1ccc(-c2ccc(O)c([N+](=O)[O-])c2)o1)C(=O)N/N=C\c1ccc(-c2ccc(O)c([N+](=O)[O-])c2)o1.

What is the InChIKey of N,N'-bis[(Z)-[5-(4-hydroxy-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide?

The InChIKey is BSPWGJOMCQPKOY-RSKRUZOQSA-N. The full InChI is InChI=1S/C24H16N6O10/c31-19-5-1-13(9-17(19)29(35)36)21-7-3-15(39-21)11-25-27-23(33)24(34)28-26-12-16-4-8-22(40-16)14-2-6-20(32)18(10-14)30(37)38/h1-12,31-32H,(H,27,33)(H,28,34)/b25-11-,26-12-.

What are the key properties of N,N'-bis[(Z)-[5-(4-hydroxy-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide?

N,N'-bis[(Z)-[5-(4-hydroxy-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide has a molecular weight of 548.42 g/mol, XLogP of 3.03, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N,N'-bis[(Z)-[5-(4-hydroxy-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide is sourced from PubChem (CID 135708521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).