[5-methyl-2-(pyridin-3-yl)-1,3-oxazol-4-yl]methanamine|1-(5-Methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)methylamine 95%|4-Aminomethyl-5-methyl-2-(pyridin-3-yl)-1,3-oxazole|[5-methyl-2-(pyridin-3-yl)-1,3-o...

General Information

Structure

Molecular Formula

C₁₀H₁₁N₃O

Molecular Mass

189.21384

Exact Mass

189.09021199

Charge

InChI

InChI=1S/C10H11N3O/c1-7-9(5-11)13-10(14-7)8-3-2-4-12-6-8/h2-4,6H,5,11H2,1H3

InChIKey

VUABIAQINWSQDQ-UHFFFAOYSA-N

Canonic Smiles

NCc1nc(oc1C)c1cccnc1

Isomeric Smiles

n1c(c2cnccc2)oc(c1CN)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-2.353255

LogD (pH = 7.4)

-0.66103643

Log P

0.12903666

Molar Refractivity

62.813

Polarizability

20.817461

Polar Surface Area

64.94

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC Traditional name

[5-methyl-2-(pyridin-3-yl)-1,3-oxazol-4-yl]methanamine

Synonyms

4-Aminomethyl-5-methyl-2-(pyridin-3-yl)-1,3-oxazole1-(5-Methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)methylamine 95%

IUPAC name

[5-methyl-2-(pyridin-3-yl)-1,3-oxazol-4-yl]methanamine

Names and Identifiers

Registration numbers

MDL Number

MFCD08056290

PubChem SID

162077544

PubChem CID

26967208

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

Navigation

General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Academic Data

• Commercial Catalog

Names and Identifiers

• IUPAC Traditional name

• Synonyms

• IUPAC name

Registration numbers

• MDL Number

• PubChem SID

• PubChem CID

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:90835