4-Amino-N-(3-bromo-4-fluorophenyl)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide

C₉H₇BrFN₅O₂CAS 914638-30-5316.09 g/mol

Open in Covalent MOL file

Amidine Aryl halide Primary amine

Properties

Molecular formula: C₉H₇BrFN₅O₂
Molar mass: 316.09 g/mol
Exact mass: 314.9767 Da
logP: 1.61Crippen estimate
Polar surface area: 109.6 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

914638-30-5

SMILES

C1=CC(=C(C=C1N=C(C2=NON=C2N)NO)Br)F

InChIKey

ORHZJUSHZUCMKR-UHFFFAOYSA-N

InChI

InChI=1S/C9H7BrFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)

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Names and synonyms

1 names

Ido-in-1

Work with 4-Amino-N-(3-bromo-4-fluorophenyl)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide914471-09-372 % similar Epacadostat1204669-58-860 % similar 3-Bromo-4-fluorobenzenamine656-64-435 % similar 4-Amino-1,2,5-oxadiazole-3-carboxylic acid78350-50-234 % similar 3-Bromo-4-fluorobenzoic acid1007-16-534 % similar 3-Bromo-4-fluorophenylacetic acid194019-11-933 % similar 3-Bromo-4-fluorophenol27407-11-033 % similar Phenylmethyl N-(4-bromo-3-fluorophenyl)carbamate510729-01-832 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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