CAS 35166-33-7|(5-Methyl-isoxazol-3-yl)-methanol|(5-methyl-1,2-oxazol-3-yl)methanol|(5-methyl-1,2-oxazol-3-yl)methanol|(5-methylisoxazol-3-yl)methanol|(5-Methylisoxazol-3-yl)methanol|3-(Hydroxymethy...

General Information

Structure

Molecular Formula

C₅H₇NO₂

Molecular Mass

113.11458

Exact Mass

113.04767847

Charge

InChI

InChI=1S/C5H7NO2/c1-4-2-5(3-7)6-8-4/h2,7H,3H2,1H3

InChIKey

MDYHWQQHEWDJKR-UHFFFAOYSA-N

Canonic Smiles

Cc1cc(no1)CO

Isomeric Smiles

c1(CO)cc(on1)C

Calculated Properties

JChem

Acid pKa

13.773034

H Acceptors

H Donor

LogD (pH = 5.5)

-0.14852609

LogD (pH = 7.4)

-0.14852554

Log P

-0.14852534

Molar Refractivity

28.9434

Polarizability

10.597938

Polar Surface Area

46.26

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

(5-methyl-1,2-oxazol-3-yl)methanol

IUPAC name

(5-methyl-1,2-oxazol-3-yl)methanol

Synonyms

(5-Methyl-isoxazol-3-yl)-methanol(5-methylisoxazol-3-yl)methanol(5-Methylisoxazol-3-yl)methanol3-(Hydroxymethyl)-5-methylisoxazole

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

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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

• Commercial Catalog

• Academic Data

Names and Identifiers

• IUPAC Traditional name

• IUPAC name

• Synonyms

Registration numbers

• MDL Number

• CAS Number

• PubChem SID

• PubChem CID

Properties

• Safety Information

• Product Information

• Physical Property

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:54237