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

General Information

Structure

Molecular Formula

C₉H₈ClF₂N₃O

Molecular Mass

247.6291264

Exact Mass

247.03239601

Charge

InChI

InChI=1S/C9H7F2N3O.ClH/c10-5-1-2-6(7(11)3-5)9-13-8(4-12)15-14-9;/h1-3H,4,12H2;1H

InChIKey

MXHRMYQSRMGEEP-UHFFFAOYSA-N

Canonic Smiles

NCc1onc(n1)c1ccc(cc1F)F.Cl

Isomeric Smiles

c1(nc(on1)CN)c1c(cc(cc1)F)F.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.13353282

LogD (pH = 7.4)

1.5624509

Log P

1.7414274

Molar Refractivity

60.3184

Polarizability

18.556767

Polar Surface Area

64.94

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

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

IUPAC Traditional name

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

IUPAC name

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

Names and Identifiers

Registration numbers

PubChem CID

71308055

PubChem SID

162215453

Registration numbers

Properties

Product Information

Salt Data

HCl

Properties

Related Proteins

No Data Available

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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:121100