2-(3,5-dimethylisoxazol-4-yl)-N-methylethanamine|[2-(dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amine|[2-(dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amine

General Information

Structure

Molecular Formula

C₈H₁₄N₂O

Molecular Mass

154.20956

Exact Mass

154.11061308

Charge

InChI

InChI=1S/C8H14N2O/c1-6-8(4-5-9-3)7(2)11-10-6/h9H,4-5H2,1-3H3

InChIKey

WYNOJPSYWAUXIE-UHFFFAOYSA-N

Canonic Smiles

CNCCc1c(C)noc1C

Isomeric Smiles

n1oc(c(c1C)CCNC)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-2.6617174

LogD (pH = 7.4)

-1.5912097

Log P

0.51573277

Molar Refractivity

45.2442

Polarizability

16.80933

Polar Surface Area

38.06

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

2-(3,5-dimethylisoxazol-4-yl)-N-methylethanamine

IUPAC Traditional name

[2-(dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amine

IUPAC name

[2-(dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amine

Names and Identifiers

Registration numbers

PubChem CID

16394815

PubChem SID

162216497

Registration numbers

Properties

No Data Available

Click here to submit data

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

PubChem Literature

No Data Available

Click here to submit data

References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:122144