N-[(Z)-(3-iodophenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C11H9IN4O2 — CID 41065971

IUPACN-[(Z)-(3-iodophenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N/N=C\c1cccc(I)c1
InChIInChI=1S/C11H9IN4O2/c1-7-10(16-18-15-7)11(17)14-13-6-8-3-2-4-9(12)5-8/h2-6H,1H3,(H,14,17)/b13-6-
InChIKeyZGDDITIUEMOWTA-MLPAPPSSSA-N
MW356.12 g/mol
LogP1.75
Rot. Bonds3

About N-[(Z)-(3-iodophenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[(Z)-(3-iodophenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 41065971) has the molecular formula C11H9IN4O2 and a molecular weight of 356.12 g/mol. Its IUPAC name is N-[(Z)-(3-iodophenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-iodophenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID41065971
Molecular FormulaC11H9IN4O2
Molecular Weight356.12 g/mol
Exact Mass355.98
IUPAC NameN-[(Z)-(3-iodophenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N/N=C\c1cccc(I)c1
InChIInChI=1S/C11H9IN4O2/c1-7-10(16-18-15-7)11(17)14-13-6-8-3-2-4-9(12)5-8/h2-6H,1H3,(H,14,17)/b13-6-
InChIKeyZGDDITIUEMOWTA-MLPAPPSSSA-N
XLogP1.75
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.12
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 5399329
4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 5393857
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3-iodophenyl)methylideneamino]-5-methyltriazole-4-carboxamide
CID 1248725
4-methyl-N-[(4-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 840676
N-[(3-iodophenyl)methylideneamino]pyridine-4-carboxamide
CID 1379950
N-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 840681
3-iodo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5499709
4-amino-N-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 5339905
ethyl 2-[2-[(3-iodophenyl)methylidene]hydrazinyl]-2-oxoacetate
CID 5039258
N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 136663019
5-bromo-2-hydroxy-N-[(E)-(3-iodophenyl)methylideneamino]benzamide
CID 58811449
N-[(3-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3092708

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-iodophenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[(Z)-(3-iodophenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 41065971) is N-[(Z)-(3-iodophenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-(3-iodophenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(Z)-(3-iodophenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)N/N=C\c1cccc(I)c1.
What is the InChIKey of N-[(Z)-(3-iodophenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is ZGDDITIUEMOWTA-MLPAPPSSSA-N. The full InChI is InChI=1S/C11H9IN4O2/c1-7-10(16-18-15-7)11(17)14-13-6-8-3-2-4-9(12)5-8/h2-6H,1H3,(H,14,17)/b13-6-.
What are the key properties of N-[(Z)-(3-iodophenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
N-[(Z)-(3-iodophenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 356.12 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-iodophenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 41065971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).