(E)-3-methyl-5-(2-(thiophen-3-yl)vinyl)isoxazol-4-amine|3-methyl-5-[(E)-2-(thiophen-3-yl)ethenyl]-1,2-oxazol-4-amine|3-methyl-5-[(E)-2-(thiophen-3-yl)ethenyl]-1,2-oxazol-4-amine

General Information

Structure

Molecular Formula

C₁₀H₁₀N₂OS

Molecular Mass

206.2642

Exact Mass

206.05138395

Charge

InChI

InChI=1S/C10H10N2OS/c1-7-10(11)9(13-12-7)3-2-8-4-5-14-6-8/h2-6H,11H2,1H3/b3-2+

InChIKey

WOBHKKKPNIPIBE-NSCUHMNNSA-N

Canonic Smiles

Cc1noc(c1N)/C=C/c1cscc1

Isomeric Smiles

c1(c(onc1C)/C=C/c1cscc1)N

Calculated Properties

JChem

Acid pKa

19.931076

H Acceptors

H Donor

LogD (pH = 5.5)

1.680505

LogD (pH = 7.4)

1.6805193

Log P

1.6805196

Molar Refractivity

59.23

Polarizability

21.054567

Polar Surface Area

52.05

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

(E)-3-methyl-5-(2-(thiophen-3-yl)vinyl)isoxazol-4-amine

IUPAC Traditional name

3-methyl-5-[(E)-2-(thiophen-3-yl)ethenyl]-1,2-oxazol-4-amine

IUPAC name

3-methyl-5-[(E)-2-(thiophen-3-yl)ethenyl]-1,2-oxazol-4-amine

Names and Identifiers

Registration numbers

PubChem CID

60175470

PubChem SID

162215512

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:121159