5-(5-chloro-1-methylpyrazol-4-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole|5-(5-chloro-1-methyl-1H-pyrazol-4-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole|5-(5-chloro-1-methyl-1H-pyrazol-4-yl)-3-(4-methylpheny...

General Information

Structure

Molecular Formula

C₁₃H₁₁ClN₄O

Molecular Mass

274.70564

Exact Mass

274.06213867

Charge

InChI

InChI=1S/C13H11ClN4O/c1-8-3-5-9(6-4-8)12-16-13(19-17-12)10-7-15-18(2)11(10)14/h3-7H,1-2H3

InChIKey

ABPUASARAIQVEJ-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc(cc1)c1noc(n1)c1cnn(c1Cl)C

Isomeric Smiles

n1c(c2c(n(C)nc2)Cl)onc1c1ccc(cc1)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.2490351

LogD (pH = 7.4)

3.2490413

Log P

3.2490416

Molar Refractivity

105.9373

Polarizability

28.270302

Polar Surface Area

56.74

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC Traditional name

5-(5-chloro-1-methylpyrazol-4-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole

Synonyms

5-(5-chloro-1-methyl-1H-pyrazol-4-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole

IUPAC name

5-(5-chloro-1-methyl-1H-pyrazol-4-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole

Names and Identifiers

Registration numbers

MDL Number

MFCD02089706

PubChem SID

162068904

PubChem CID

2777752

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

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General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Academic Data

• Commercial Catalog

Names and Identifiers

• IUPAC Traditional name

• Synonyms

• IUPAC name

Registration numbers

• MDL Number

• PubChem SID

• PubChem CID

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:81785