CAS 147216-21-5|2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine|2-(3-methyl-1,2,4-oxadiazol-5-yl)ethan-1-amine|2-(3-Methyl-1,2,4-oxadiazol-5-yl)ethan-1-amine|[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amin...

General Information

Structure

Molecular Formula

C₅H₉N₃O

Molecular Mass

127.14446

Exact Mass

127.07456192

Charge

InChI

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

InChIKey

VRWWVRDLCMPKME-UHFFFAOYSA-N

Canonic Smiles

Cc1nc(on1)CCN

Isomeric Smiles

o1nc(nc1CCN)C

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

Synonyms

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

IUPAC name

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

Names and Identifiers

Registration numbers

MDL Number

MFCD12026513MFCD09971810

PubChem CID

10701847

PubChem SID

162030033

CAS Number

147216-21-5

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

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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

• CAS Number

Properties

• Safety Information

• Physical Property

• Product Information

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:64294