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

General Information

Structure

Molecular Formula

C₉H₉ClFN₃O

Molecular Mass

229.6386632

Exact Mass

229.04181782

Charge

InChI

InChI=1S/C9H8FN3O.ClH/c10-7-3-1-6(2-4-7)9-12-8(5-11)14-13-9;/h1-4H,5,11H2;1H

InChIKey

UGOGZHIUMKIBLZ-UHFFFAOYSA-N

Canonic Smiles

NCc1onc(n1)c1ccc(cc1)F.Cl

Isomeric Smiles

n1c(noc1CN)c1ccc(cc1)F.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.016935661

LogD (pH = 7.4)

1.4142358

Log P

1.5944568

Molar Refractivity

60.102

Polarizability

18.771763

Polar Surface Area

64.94

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

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

IUPAC Traditional name

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

Synonyms

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

Names and Identifiers

Registration numbers

PubChem CID

53433564

PubChem SID

162215455

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:121102