CAS 884507-32-8|N-methyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methylamine|methyl({[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl})amine|methyl({[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl})...

General Information

Structure

Molecular Formula

C₁₁H₁₃N₃O

Molecular Mass

203.24042

Exact Mass

203.10586205

Charge

InChI

InChI=1S/C11H13N3O/c1-8-13-11(15-14-8)10-5-3-9(4-6-10)7-12-2/h3-6,12H,7H2,1-2H3

InChIKey

MUCOLQGVWQXQMX-UHFFFAOYSA-N

Canonic Smiles

CNCc1ccc(cc1)c1onc(n1)C

Isomeric Smiles

n1c(onc1C)c1ccc(cc1)CNC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.3780674

LogD (pH = 7.4)

-0.113645025

Log P

1.8810043

Molar Refractivity

69.6481

Polarizability

22.68137

Polar Surface Area

50.95

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

N-methyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methylamine

IUPAC Traditional name

methyl({[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl})amine

IUPAC name

methyl({[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl})amine

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem CID

PubChem SID

Registration numbers

Properties

Product Information

Purity

95%

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

• Synonyms

• IUPAC Traditional name

• IUPAC name

Registration numbers

• MDL Number

• CAS Number

• PubChem CID

• PubChem SID

Properties

• Product Information

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:101332