5-[(4,5-dichloroimidazol-1-yl)methyl]-3-(furan-2-yl)-1,2,4-oxadiazole|5-((4,5-dichloro-1H-imidazol-1-yl)methyl)-3-(furan-2-yl)-1,2,4-oxadiazole|5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-3-(furan-2-y...

General Information

Structure

Molecular Formula

C₁₀H₆Cl₂N₄O₂

Molecular Mass

285.08624

Exact Mass

283.98678081

Charge

InChI

InChI=1S/C10H6Cl2N4O2/c11-8-9(12)16(5-13-8)4-7-14-10(15-18-7)6-2-1-3-17-6/h1-3,5H,4H2

InChIKey

PKNBCYNORZQHKJ-UHFFFAOYSA-N

Canonic Smiles

Clc1ncn(c1Cl)Cc1onc(n1)c1ccco1

Isomeric Smiles

n1(c(c(nc1)Cl)Cl)Cc1nc(no1)c1occc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.2089005

LogD (pH = 7.4)

2.2103546

Log P

2.2103732

Molar Refractivity

76.9392

Polarizability

24.85542

Polar Surface Area

69.88

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC Traditional name

5-[(4,5-dichloroimidazol-1-yl)methyl]-3-(furan-2-yl)-1,2,4-oxadiazole

Synonyms

5-((4,5-dichloro-1H-imidazol-1-yl)methyl)-3-(furan-2-yl)-1,2,4-oxadiazole

IUPAC name

5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-3-(furan-2-yl)-1,2,4-oxadiazole

Names and Identifiers

Registration numbers

PubChem CID

49651918

PubChem SID

162218256

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:123903