N-(4-methylphenyl)-N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]oxamide

C20H16N4O5 — CID 6871551

IUPACN-(4-methylphenyl)-N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1
InChIInChI=1S/C20H16N4O5/c1-13-5-7-15(8-6-13)22-19(25)20(26)23-21-12-17-9-10-18(29-17)14-3-2-4-16(11-14)24(27)28/h2-12H,1H3,(H,22,25)(H,23,26)/b21-12+
InChIKeyMDNUOZIJUXYJCP-CIAFOILYSA-N
MW392.37 g/mol
LogP3.25
Rot. Bonds5

About N-(4-methylphenyl)-N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]oxamide

N-(4-methylphenyl)-N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]oxamide (PubChem CID 6871551) has the molecular formula C20H16N4O5 and a molecular weight of 392.37 g/mol. Its IUPAC name is N-(4-methylphenyl)-N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]oxamide
PubChem CID6871551
Molecular FormulaC20H16N4O5
Molecular Weight392.37 g/mol
Exact Mass392.11
IUPAC NameN-(4-methylphenyl)-N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1
InChIInChI=1S/C20H16N4O5/c1-13-5-7-15(8-6-13)22-19(25)20(26)23-21-12-17-9-10-18(29-17)14-3-2-4-16(11-14)24(27)28/h2-12H,1H3,(H,22,25)(H,23,26)/b21-12+
InChIKeyMDNUOZIJUXYJCP-CIAFOILYSA-N
XLogP3.25
TPSA126.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

N-(3,4-dimethylphenyl)-N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]oxamide
CID 94837456
N'-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide
CID 9351713
N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 94837416
N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 94837415
1-(4-fluorophenyl)-3-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]thiourea
CID 2725401
2-(2,4-dimethylphenyl)-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 92657665
[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]thiourea
CID 691890
1-(3-methoxyphenyl)-3-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]thiourea
CID 9256687
2-(2,6-dibromo-4-methylphenoxy)-N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 56693829
3-iodo-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 94846741
N,N'-bis[(Z)-[5-(4-hydroxy-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide
CID 135708521
N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide
CID 831247

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]oxamide?
The IUPAC name of N-(4-methylphenyl)-N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]oxamide (CID 6871551) is N-(4-methylphenyl)-N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]oxamide.
What is the SMILES notation for N-(4-methylphenyl)-N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]oxamide?
The canonical SMILES for N-(4-methylphenyl)-N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]oxamide is Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]oxamide?
The InChIKey is MDNUOZIJUXYJCP-CIAFOILYSA-N. The full InChI is InChI=1S/C20H16N4O5/c1-13-5-7-15(8-6-13)22-19(25)20(26)23-21-12-17-9-10-18(29-17)14-3-2-4-16(11-14)24(27)28/h2-12H,1H3,(H,22,25)(H,23,26)/b21-12+.
What are the key properties of N-(4-methylphenyl)-N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]oxamide?
N-(4-methylphenyl)-N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]oxamide has a molecular weight of 392.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]oxamide is sourced from PubChem (CID 6871551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).