N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]oxamide

C10H13N3O3 — CID 9120771

IUPACN'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]oxamide
SMILESC/C(=N/NC(=O)C(N)=O)c1cc(C)oc1C
InChIInChI=1S/C10H13N3O3/c1-5-4-8(7(3)16-5)6(2)12-13-10(15)9(11)14/h4H,1-3H3,(H2,11,14)(H,13,15)/b12-6-
InChIKeyVFRDGCZEUUOPPC-SDQBBNPISA-N
MW223.23 g/mol
LogP0.22
Rot. Bonds2

About N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]oxamide

N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]oxamide (PubChem CID 9120771) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]oxamide
PubChem CID9120771
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC NameN'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]oxamide
SMILESC/C(=N/NC(=O)C(N)=O)c1cc(C)oc1C
InChIInChI=1S/C10H13N3O3/c1-5-4-8(7(3)16-5)6(2)12-13-10(15)9(11)14/h4H,1-3H3,(H2,11,14)(H,13,15)/b12-6-
InChIKeyVFRDGCZEUUOPPC-SDQBBNPISA-N
XLogP0.22
TPSA97.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-N-(4-methylphenyl)oxamide
CID 9179733
N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-4-fluorobenzamide
CID 9016562
N'-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]oxamide
CID 9120782
2-chloro-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]benzamide
CID 6156048
2,5-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]furan-3-carboxamide
CID 8518516
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135635825
N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 9315693
2-(4-bromophenoxy)-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]acetamide
CID 9359002
N-[1-(2,5-dimethylfuran-3-yl)ethylideneamino]-9H-xanthene-9-carboxamide
CID 1227717
2,5-dimethyl-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]furan-3-carboxamide
CID 4638299
N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9316839
2,5-dimethyl-N-[(Z)-4-methylpentan-2-ylideneamino]furan-3-carboxamide
CID 6175255

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]oxamide?
The IUPAC name of N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]oxamide (CID 9120771) is N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]oxamide.
What is the SMILES notation for N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]oxamide?
The canonical SMILES for N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]oxamide is C/C(=N/NC(=O)C(N)=O)c1cc(C)oc1C.
What is the InChIKey of N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]oxamide?
The InChIKey is VFRDGCZEUUOPPC-SDQBBNPISA-N. The full InChI is InChI=1S/C10H13N3O3/c1-5-4-8(7(3)16-5)6(2)12-13-10(15)9(11)14/h4H,1-3H3,(H2,11,14)(H,13,15)/b12-6-.
What are the key properties of N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]oxamide?
N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]oxamide has a molecular weight of 223.23 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]oxamide is sourced from PubChem (CID 9120771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).