CAS 21767-12-4|CAS 902837-17-6|3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine|3-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidine|3-Methyl-5-(piperidin-3-yl)-1,2,4-oxadiazole|3-(3-methyl-1,2,4-oxadiazol-5-yl)p...

Molecular Formula

C₈H₁₃N₃O

Molecular Mass

167.20832

Exact Mass

167.10586205

InChI

InChI=1S/C8H13N3O/c1-6-10-8(12-11-6)7-3-2-4-9-5-7/h7,9H,2-5H2,1H3

InChIKey

MPYNENJKQSNBDF-UHFFFAOYSA-N

Canonic Smiles

Cc1noc(n1)C1CCCNC1

Isomeric Smiles

o1c(nc(n1)C)C1CNCCC1

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-2.5594437

LogD (pH = 7.4)

-1.2259854

Log P

0.67580885

Molar Refractivity

46.0168

Polarizability

17.150942

Polar Surface Area

50.95

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

6486603

Synonyms

3-Methyl-5-(piperidin-3-yl)-1,2,4-oxadiazole3-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidine3-(3-甲基-1,2,4-二唑-5-基)哌啶3-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidine3-methyl-5-(piperidin-3-yl)-1,2,4-oxadiazole

IUPAC name

3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine

IUPAC Traditional name

3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine

MDL Number

MFCD07801211

PubChem SID

162075465

Safety Information

Storage Warning

Irritant

GHS Hazard statements

H315-H319-H335

European Hazard Symbols

Irritant (Xi)

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

GHS Precautionary statements

P261-P305+P351+P338-P302+P352-P321-P405-P501A

TSCA Listed

否

Risk Statements

36/37/38

Safety Statements

26-37

Product Information

Purity

95%

98%

Physical Property

Hydrophobicity(logP)

-0.116

No Data Available

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Academic Data

PubChem

6486603

Synonyms

IUPAC name

3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine

IUPAC Traditional name

3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine

MDL Number

MFCD07801211

PubChem SID

162075465

Safety Information

Storage Warning

Irritant

GHS Hazard statements

H315-H319-H335

European Hazard Symbols

Irritant (Xi)

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

GHS Precautionary statements

P261-P305+P351+P338-P302+P352-P321-P405-P501A

TSCA Listed

否

Risk Statements

36/37/38

Safety Statements

26-37

Product Information

Purity

95%

98%

Physical Property

Hydrophobicity(logP)

-0.116

No Data Available

Click here to submit data

Molecule

ID:88523