CAS 766500-04-3|3-(Aminomethyl)-1,2,4-oxadiazole 95%|1,2,4-oxadiazol-3-ylmethanamine|1,2,4-oxadiazol-3-ylmethanamine|1-(1,2,4-Oxadiazol-3-yl)methylamine|(1,2,4-oxadiazol-3-ylmethyl)amine

General Information

Structure

Molecular Formula

C₃H₅N₃O

Molecular Mass

99.0913

Exact Mass

99.0432618

Charge

InChI

InChI=1S/C3H5N3O/c4-1-3-5-2-7-6-3/h2H,1,4H2

InChIKey

UXYVSDKZZNSXRF-UHFFFAOYSA-N

Canonic Smiles

NCc1nocn1

Isomeric Smiles

n1c(nco1)CN

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-2.5727708

LogD (pH = 7.4)

-0.9642996

Log P

-0.6337198

Molar Refractivity

24.6582

Polarizability

8.886842

Polar Surface Area

64.94

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

3-(Aminomethyl)-1,2,4-oxadiazole 95%1-(1,2,4-Oxadiazol-3-yl)methylamine(1,2,4-oxadiazol-3-ylmethyl)amine

IUPAC name

1,2,4-oxadiazol-3-ylmethanamine

IUPAC Traditional name

1,2,4-oxadiazol-3-ylmethanamine

Names and Identifiers

Registration numbers

MDL Number

PubChem SID

PubChem CID

CAS Number

Registration numbers

Properties

Safety Information

Storage Warning

Corrosive/Harmful

Properties

Related Proteins

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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

• Synonyms

• IUPAC name

• IUPAC Traditional name

Registration numbers

• MDL Number

• PubChem SID

• PubChem CID

• CAS Number

• Safety Information

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:90845