4-Aminomethyl-5-methyl-2-(furan-3-yl)-1,3-oxazole|[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methanamine|[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methanamine|1-[2-(3-Furyl)-5-methyl-1,3-oxazol-4-yl]me...

General Information

Structure

Molecular Formula

C₉H₁₀N₂O₂

Molecular Mass

178.1879

Exact Mass

178.07422757

Charge

InChI

InChI=1S/C9H10N2O2/c1-6-8(4-10)11-9(13-6)7-2-3-12-5-7/h2-3,5H,4,10H2,1H3

InChIKey

QNOZACQHDSTEKJ-UHFFFAOYSA-N

Canonic Smiles

NCc1nc(oc1C)c1cocc1

Isomeric Smiles

o1cc(c2nc(c(o2)C)CN)cc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.985623

LogD (pH = 7.4)

-0.29903337

Log P

0.48695463

Molar Refractivity

57.4833

Polarizability

18.594532

Polar Surface Area

65.19

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

4-Aminomethyl-5-methyl-2-(furan-3-yl)-1,3-oxazole1-[2-(3-Furyl)-5-methyl-1,3-oxazol-4-yl]methylamine 95%

IUPAC Traditional name

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

IUPAC name

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

Names and Identifiers

Registration numbers

MDL Number

MFCD08056292

PubChem CID

26967215

PubChem SID

162077552

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

PubChem Literature

No Data Available

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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 Traditional name

• IUPAC name

Registration numbers

• MDL Number

• PubChem CID

• PubChem SID

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:90843