N-(furan-2-ylmethyl)-N'-[(Z)-(5-nitrofuran-2-yl)methylideneamino]oxamide

C12H10N4O6 — CID 9352807

IUPACN-(furan-2-ylmethyl)-N'-[(Z)-(5-nitrofuran-2-yl)methylideneamino]oxamide
SMILESO=C(NCc1ccco1)C(=O)N/N=C\c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C12H10N4O6/c17-11(13-6-8-2-1-5-21-8)12(18)15-14-7-9-3-4-10(22-9)16(19)20/h1-5,7H,6H2,(H,13,17)(H,15,18)/b14-7-
InChIKeyHAIDJSQVNZOHCF-AUWJEWJLSA-N
MW306.23 g/mol
LogP0.55
Rot. Bonds5

About N-(furan-2-ylmethyl)-N'-[(Z)-(5-nitrofuran-2-yl)methylideneamino]oxamide

N-(furan-2-ylmethyl)-N'-[(Z)-(5-nitrofuran-2-yl)methylideneamino]oxamide (PubChem CID 9352807) has the molecular formula C12H10N4O6 and a molecular weight of 306.23 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-[(Z)-(5-nitrofuran-2-yl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-[(Z)-(5-nitrofuran-2-yl)methylideneamino]oxamide
PubChem CID9352807
Molecular FormulaC12H10N4O6
Molecular Weight306.23 g/mol
Exact Mass306.06
IUPAC NameN-(furan-2-ylmethyl)-N'-[(Z)-(5-nitrofuran-2-yl)methylideneamino]oxamide
SMILESO=C(NCc1ccco1)C(=O)N/N=C\c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C12H10N4O6/c17-11(13-6-8-2-1-5-21-8)12(18)15-14-7-9-3-4-10(22-9)16(19)20/h1-5,7H,6H2,(H,13,17)(H,15,18)/b14-7-
InChIKeyHAIDJSQVNZOHCF-AUWJEWJLSA-N
XLogP0.55
TPSA139.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(furan-2-ylmethyl)-N'-[(5-methylfuran-2-yl)methylideneamino]oxamide
CID 5237010
ethyl 4-[5-[(Z)-[[2-(furan-2-ylmethylamino)-2-oxoacetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 9352907
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
N-[(E)-furan-2-ylmethylideneamino]-5-nitrofuran-2-carboxamide
CID 45108950
N'-[(2,3-dichlorophenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 3639145
N-[2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6893438
[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid
CID 139205306
N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenylpropanamide
CID 913455
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxyacetamide
CID 6322955
N'-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 135575952
2-hydroxyethyl N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]carbamate
CID 6433366
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylsulfanylacetamide
CID 100801815

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-[(Z)-(5-nitrofuran-2-yl)methylideneamino]oxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N'-[(Z)-(5-nitrofuran-2-yl)methylideneamino]oxamide (CID 9352807) is N-(furan-2-ylmethyl)-N'-[(Z)-(5-nitrofuran-2-yl)methylideneamino]oxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-[(Z)-(5-nitrofuran-2-yl)methylideneamino]oxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-[(Z)-(5-nitrofuran-2-yl)methylideneamino]oxamide is O=C(NCc1ccco1)C(=O)N/N=C\c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-[(Z)-(5-nitrofuran-2-yl)methylideneamino]oxamide?
The InChIKey is HAIDJSQVNZOHCF-AUWJEWJLSA-N. The full InChI is InChI=1S/C12H10N4O6/c17-11(13-6-8-2-1-5-21-8)12(18)15-14-7-9-3-4-10(22-9)16(19)20/h1-5,7H,6H2,(H,13,17)(H,15,18)/b14-7-.
What are the key properties of N-(furan-2-ylmethyl)-N'-[(Z)-(5-nitrofuran-2-yl)methylideneamino]oxamide?
N-(furan-2-ylmethyl)-N'-[(Z)-(5-nitrofuran-2-yl)methylideneamino]oxamide has a molecular weight of 306.23 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N'-[(Z)-(5-nitrofuran-2-yl)methylideneamino]oxamide is sourced from PubChem (CID 9352807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).