2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine hydrochloride|2-(3-Methyl-1,2,4-oxadiazol-5-yl)ethanamine hydrochloride|2-(3-methyl-1,2,4-oxadiazol-5-yl)ethan-1-amine hydrochloride|2-(3-methyl-1,2,4-oxa...

General Information

Structure

Molecular Formula

C₅H₁₀ClN₃O

Molecular Mass

163.6054

Exact Mass

163.05123964

Charge

InChI

InChI=1S/C5H9N3O.ClH/c1-4-7-5(2-3-6)9-8-4;/h2-3,6H2,1H3;1H

InChIKey

GIUPTEOOBIVWNZ-UHFFFAOYSA-N

Canonic Smiles

Cc1nc(on1)CCN.Cl

Isomeric Smiles

n1c(onc1C)CCN.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-3.2912035

LogD (pH = 7.4)

-1.9790602

Log P

-0.20507315

Molar Refractivity

33.7983

Polarizability

12.378573

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 Traditional name

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

Synonyms

2-(3-Methyl-1,2,4-oxadiazol-5-yl)ethanamine hydrochloride2-(3-methyl-1,2,4-oxadiazol-5-yl)ethan-1-amine hydrochloride

IUPAC name

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

Names and Identifiers

Registration numbers

MDL Number

MFCD12026513

PubChem CID

46736056

PubChem SID

160988097

Registration numbers

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

Navigation

General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Commercial Catalog

• Academic Data

Names and Identifiers

• IUPAC Traditional name

• Synonyms

• IUPAC name

Registration numbers

• MDL Number

• PubChem CID

• PubChem SID

Properties

• Safety Information

• Product Information

• Physical Property

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:24790