N-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]-2-methoxyacetamide

C12H11BrFN5O4 — CID 88547069

IUPACN-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1nonc1/C=N/ONc1ccc(F)c(Br)c1
InChIInChI=1S/C12H11BrFN5O4/c1-21-6-11(20)16-12-10(18-23-19-12)5-15-22-17-7-2-3-9(14)8(13)4-7/h2-5,17H,6H2,1H3,(H,16,19,20)/b15-5+
InChIKeyKXOMXMOXOAEYJN-PJQLUOCWSA-N
MW388.15 g/mol
LogP1.93
Rot. Bonds7

About N-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]-2-methoxyacetamide

N-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]-2-methoxyacetamide (PubChem CID 88547069) has the molecular formula C12H11BrFN5O4 and a molecular weight of 388.15 g/mol. Its IUPAC name is N-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]-2-methoxyacetamide
PubChem CID88547069
Molecular FormulaC12H11BrFN5O4
Molecular Weight388.15 g/mol
Exact Mass387.00
IUPAC NameN-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1nonc1/C=N/ONc1ccc(F)c(Br)c1
InChIInChI=1S/C12H11BrFN5O4/c1-21-6-11(20)16-12-10(18-23-19-12)5-15-22-17-7-2-3-9(14)8(13)4-7/h2-5,17H,6H2,1H3,(H,16,19,20)/b15-5+
InChIKeyKXOMXMOXOAEYJN-PJQLUOCWSA-N
XLogP1.93
TPSA110.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.15
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]-2-methoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]-2-(2-chlorophenoxy)acetamide
CID 88547095
N-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]-3,4-dimethoxybenzamide
CID 88547025
N-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]naphthalene-1-carboxamide
CID 88547011
N-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 88547081
N-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]-4-cyanobenzamide
CID 88547126
N-(3-bromo-4-fluorophenyl)-2-methoxyacetamide
CID 115661537
N-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]-2-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 88547040
N-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]-2-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 88547039
1-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]piperidine-4-carboxamide
CID 142797792
N-[4-[(E)-(3-chloroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 88547057
N-(3-bromo-4-fluorophenyl)-4-(2-methoxyethylamino)-N'-methyl-1,2,5-oxadiazole-3-carboximidamide
CID 163537139
N-[4-[N'-(3-bromo-4-fluorophenyl)carbamimidoyl]-1,2,5-oxadiazol-3-yl]-2-(3-methoxyphenoxy)acetamide
CID 122643140

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]-2-methoxyacetamide (CID 88547069) is N-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]-2-methoxyacetamide is COCC(=O)Nc1nonc1/C=N/ONc1ccc(F)c(Br)c1.
What is the InChIKey of N-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]-2-methoxyacetamide?
The InChIKey is KXOMXMOXOAEYJN-PJQLUOCWSA-N. The full InChI is InChI=1S/C12H11BrFN5O4/c1-21-6-11(20)16-12-10(18-23-19-12)5-15-22-17-7-2-3-9(14)8(13)4-7/h2-5,17H,6H2,1H3,(H,16,19,20)/b15-5+.
What are the key properties of N-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]-2-methoxyacetamide?
N-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]-2-methoxyacetamide has a molecular weight of 388.15 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 88547069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).