CAS 31329-64-3|dimethyl-1,2-oxazol-4-amine|dimethyl-1,2-oxazol-4-amine|3,5-Dimethylisoxazol-4-ylamine|4-Amino-3,5-dimethylisoxazole|3,5-dimethyl-4-isoxazolamine|4-Amino-3,5-dimethylisoxazole|4-氨基-...

General Information

Structure

Molecular Formula

C₅H₈N₂O

Molecular Mass

112.12982

Exact Mass

112.06366289

Charge

InChI

InChI=1S/C5H8N2O/c1-3-5(6)4(2)8-7-3/h6H2,1-2H3

InChIKey

INSUSOZBMWJGDG-UHFFFAOYSA-N

Canonic Smiles

Nc1c(C)noc1C

Isomeric Smiles

o1c(c(c(n1)C)N)C

Calculated Properties

JChem

Acid pKa

19.958193

H Acceptors

H Donor

LogD (pH = 5.5)

-0.16023766

LogD (pH = 7.4)

-0.16020368

Log P

-0.16020325

Molar Refractivity

31.9416

Polarizability

11.008692

Polar Surface Area

52.05

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

dimethyl-1,2-oxazol-4-amine

IUPAC Traditional name

dimethyl-1,2-oxazol-4-amine

Synonyms

4-Amino-3,5-dimethylisoxazole3,5-Dimethylisoxazol-4-ylamine3,5-dimethyl-4-isoxazolamine4-Amino-3,5-dimethylisoxazole3,5-dimethyl-1,2-oxazol-4-amine4-氨基-3,5-二甲基异噁唑

Names and Identifiers

Registration numbers

CAS Number

PubChem SID

MDL Number

PubChem CID

Registration numbers

Properties

Product Information

97%

95%

98%

C5H8N2O

Physical Property

41-46 °C(lit.)

0.079

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

575069

Packaging
1, 5 g in glass bottle

Molecule Details

References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC name

dimethyl-1,2-oxazol-4-amine

IUPAC Traditional name

dimethyl-1,2-oxazol-4-amine

Synonyms

4-Amino-3,5-dimethylisoxazole3,5-Dimethylisoxazol-4-ylamine3,5-dimethyl-4-isoxazolamine4-Amino-3,5-dimethylisoxazole3,5-dimethyl-1,2-oxazol-4-amine4-氨基-3,5-二甲基异噁唑

Registration numbers

CAS Number

PubChem SID

MDL Number

PubChem CID

Molecule Details

575069