(1-amino-2-chloroethylidene)amino 3,5-dimethyl-1,2-oxazole-4-carboxylate|(1-amino-2-chloroethylidene)amino 3,5-dimethyl-1,2-oxazole-4-carboxylate|O1-[(3,5-dimethylisoxazol-4-yl)carbonyl]-2-chloroeth...

General Information

Structure

Molecular Formula

C₈H₁₀ClN₃O₃

Molecular Mass

231.6363

Exact Mass

231.04106888

Charge

InChI

InChI=1S/C8H10ClN3O3/c1-4-7(5(2)14-11-4)8(13)15-12-6(10)3-9/h3H2,1-2H3,(H2,10,12)

InChIKey

QEJATCFXFMNBDQ-UHFFFAOYSA-N

Canonic Smiles

ClC/C(=N/OC(=O)c1c(C)noc1C)/N

Isomeric Smiles

n1c(c(c(o1)C)C(=O)O/N=C(\N)/CCl)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.46607155

LogD (pH = 7.4)

0.46624404

Log P

0.46624622

Molar Refractivity

54.1681

Polarizability

20.036993

Polar Surface Area

90.71

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC name

(1-amino-2-chloroethylidene)amino 3,5-dimethyl-1,2-oxazole-4-carboxylate

IUPAC Traditional name

(1-amino-2-chloroethylidene)amino 3,5-dimethyl-1,2-oxazole-4-carboxylate

Synonyms

O1-[(3,5-dimethylisoxazol-4-yl)carbonyl]-2-chloroethanehydroximamide

Names and Identifiers

Registration numbers

PubChem SID

162073013

PubChem CID

5799199

MDL Number

MFCD00176955

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

• IUPAC name

• IUPAC Traditional name

• Synonyms

Registration numbers

• PubChem SID

• PubChem CID

• MDL Number

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:85897