[3-(4-chlorophenoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine hydrochloride|[3-(4-chlorophenoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine hydrochloride|(3-((4-chlorophenoxy)methyl)-1,2,4-oxadiazol-5-yl)...

General Information

Structure

Molecular Formula

C₁₀H₁₁Cl₂N₃O₂

Molecular Mass

276.11924

Exact Mass

275.02283197

Charge

InChI

InChI=1S/C10H10ClN3O2.ClH/c11-7-1-3-8(4-2-7)15-6-9-13-10(5-12)16-14-9;/h1-4H,5-6,12H2;1H

InChIKey

CZMOMGIIFJXSEG-UHFFFAOYSA-N

Canonic Smiles

NCc1onc(n1)COc1ccc(cc1)Cl.Cl

Isomeric Smiles

n1c(noc1CN)COc1ccc(Cl)cc1.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.0585394

LogD (pH = 7.4)

1.481003

Log P

1.6564741

Molar Refractivity

59.8658

Polarizability

22.845236

Polar Surface Area

74.17

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC Traditional name

[3-(4-chlorophenoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine hydrochloride

IUPAC name

[3-(4-chlorophenoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine hydrochloride

Synonyms

(3-((4-chlorophenoxy)methyl)-1,2,4-oxadiazol-5-yl)methanamine hydrochloride

Names and Identifiers

Registration numbers

PubChem CID

51051934

PubChem SID

162218367

Registration numbers

Properties

Product Information

Salt Data

HCl

Properties

Related Proteins

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Molecular Spectra

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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:124014