N-(4-cyanophenyl)-N'-[1-(furan-2-yl)ethylideneamino]oxamide

C15H12N4O3 — CID 3323099

IUPACN-(4-cyanophenyl)-N'-[1-(furan-2-yl)ethylideneamino]oxamide
SMILESCC(=NNC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccco1
InChIInChI=1S/C15H12N4O3/c1-10(13-3-2-8-22-13)18-19-15(21)14(20)17-12-6-4-11(9-16)5-7-12/h2-8H,1H3,(H,17,20)(H,19,21)
InChIKeyLFXIPUXWLQLVON-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.63
Rot. Bonds3

About N-(4-cyanophenyl)-N'-[1-(furan-2-yl)ethylideneamino]oxamide

N-(4-cyanophenyl)-N'-[1-(furan-2-yl)ethylideneamino]oxamide (PubChem CID 3323099) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N'-[1-(furan-2-yl)ethylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N'-[1-(furan-2-yl)ethylideneamino]oxamide
PubChem CID3323099
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC NameN-(4-cyanophenyl)-N'-[1-(furan-2-yl)ethylideneamino]oxamide
SMILESCC(=NNC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccco1
InChIInChI=1S/C15H12N4O3/c1-10(13-3-2-8-22-13)18-19-15(21)14(20)17-12-6-4-11(9-16)5-7-12/h2-8H,1H3,(H,17,20)(H,19,21)
InChIKeyLFXIPUXWLQLVON-UHFFFAOYSA-N
XLogP1.63
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyanophenoxy)-N-[(Z)-1-(furan-2-yl)ethylideneamino]acetamide
CID 6378395
2-cyano-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 2848867
2-cyano-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5334027
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
[(Z)-1-(furan-2-yl)ethylideneamino]urea
CID 5354823
[2-[N-[[2-(4-chloroanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] furan-2-carboxylate
CID 3407616
N-[4-[[4-[(4-cyanophenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide
CID 126494635
4-(cyclopropanecarbonylamino)-N-[1-(furan-2-yl)ethylideneamino]benzamide
CID 921018
N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5396908
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-phenylacetamide
CID 5335640
N'-[(E)-benzylideneamino]-N-(4-cyanophenyl)oxamide
CID 19661465
[4-(furan-2-carbonylamino)phenyl] 4-cyanobenzenesulfonate
CID 30325925

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N'-[1-(furan-2-yl)ethylideneamino]oxamide?
The IUPAC name of N-(4-cyanophenyl)-N'-[1-(furan-2-yl)ethylideneamino]oxamide (CID 3323099) is N-(4-cyanophenyl)-N'-[1-(furan-2-yl)ethylideneamino]oxamide.
What is the SMILES notation for N-(4-cyanophenyl)-N'-[1-(furan-2-yl)ethylideneamino]oxamide?
The canonical SMILES for N-(4-cyanophenyl)-N'-[1-(furan-2-yl)ethylideneamino]oxamide is CC(=NNC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccco1.
What is the InChIKey of N-(4-cyanophenyl)-N'-[1-(furan-2-yl)ethylideneamino]oxamide?
The InChIKey is LFXIPUXWLQLVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c1-10(13-3-2-8-22-13)18-19-15(21)14(20)17-12-6-4-11(9-16)5-7-12/h2-8H,1H3,(H,17,20)(H,19,21).
What are the key properties of N-(4-cyanophenyl)-N'-[1-(furan-2-yl)ethylideneamino]oxamide?
N-(4-cyanophenyl)-N'-[1-(furan-2-yl)ethylideneamino]oxamide has a molecular weight of 296.29 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N'-[1-(furan-2-yl)ethylideneamino]oxamide is sourced from PubChem (CID 3323099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).