CAS 154016-48-5|(5-methyl-1,2-oxazol-3-yl)methanamine|(5-Methylisoxazol-3-yl)methylamine|(5-methyl-1,2-oxazol-3-yl)methanamine|(5-methyl-3-isoxazolyl)methylamine|1-(5-methylisoxazol-3-yl)methanamine...

General Information

Structure

Molecular Formula

C₅H₈N₂O

Molecular Mass

112.12982

Exact Mass

112.06366289

Charge

InChI

InChI=1S/C5H8N2O/c1-4-2-5(3-6)7-8-4/h2H,3,6H2,1H3

InChIKey

AZVWIMLQRLKLHH-UHFFFAOYSA-N

Canonic Smiles

Cc1cc(no1)CN

Isomeric Smiles

n1oc(cc1CN)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-2.7477047

LogD (pH = 7.4)

-1.0644051

Log P

-0.25540712

Molar Refractivity

30.6009

Polarizability

11.454587

Polar Surface Area

52.05

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

(5-methyl-1,2-oxazol-3-yl)methanamine

Synonyms

(5-Methylisoxazol-3-yl)methylamine(5-methyl-3-isoxazolyl)methylamine1-(5-methylisoxazol-3-yl)methanamine3-(Aminomethyl)-5-methylisoxazole(5-Methyl-1,2-oxazol-3-yl)methylamine3-(Aminomethyl)-5-methyl-1,2-oxazole(5-Methylisoxazol-3-yl)methylamine(5-methyl-1,2-oxazol-3-yl)methanamine

IUPAC Traditional name

(5-methyl-1,2-oxazol-3-yl)methanamine

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem CID

PubChem SID

Registration numbers

Properties

Related Proteins

Molecular Spectra

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Molecule Details

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References

PubChem Literature

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:24837