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

General Information

Structure

Molecular Formula

C₁₁H₁₄ClN₃O₃

Molecular Mass

271.70016

Exact Mass

271.072369

Charge

InChI

InChI=1S/C11H13N3O3.ClH/c1-15-8-2-4-9(5-3-8)16-7-10-13-11(6-12)17-14-10;/h2-5H,6-7,12H2,1H3;1H

InChIKey

WMVYYDUXQCYSMG-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(cc1)OCc1noc(n1)CN.Cl

Isomeric Smiles

n1c(noc1CN)COc1ccc(cc1)OC.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.7017329

LogD (pH = 7.4)

0.7207308

Log P

0.8962018

Molar Refractivity

61.5242

Polarizability

23.473568

Polar Surface Area

83.4

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

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

IUPAC name

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

IUPAC Traditional name

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

Names and Identifiers

Registration numbers

PubChem SID

162218787

PubChem CID

51051991

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:124434