CAS 1018475-23-4|1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine hydrochloride|[1-(3-Methyl-1,2,4-oxadiazol-5-yl)propyl]amine hydrochloride|1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine hydrochlor...

General Information

Structure

Molecular Formula

C₆H₁₂ClN₃O

Molecular Mass

177.63198

Exact Mass

177.0668897

Charge

InChI

InChI=1S/C6H11N3O.ClH/c1-3-5(7)6-8-4(2)9-10-6;/h5H,3,7H2,1-2H3;1H

InChIKey

ASKCEVOQIWJHJA-UHFFFAOYSA-N

Canonic Smiles

CCC(c1onc(n1)C)N.Cl

Isomeric Smiles

n1c(onc1C)C(N)CC.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.2956662

LogD (pH = 7.4)

0.3033527

Log P

0.6218513

Molar Refractivity

38.1168

Polarizability

14.278346

Polar Surface Area

64.94

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC name

1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine hydrochloride

IUPAC Traditional name

1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine hydrochloride

Synonyms

[1-(3-Methyl-1,2,4-oxadiazol-5-yl)propyl]amine hydrochloride

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Registration numbers

Properties

Safety Information

Storage Warning

IRRITANT

TSCA Listed

false

MSDS Link

Download link

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

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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 name

• IUPAC Traditional name

• Synonyms

Registration numbers

• MDL Number

• CAS Number

• PubChem SID

• PubChem CID

• Safety Information

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:55355