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161609-79-6 molecular structure
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4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine

ChemBase ID: 118273
Molecular Formular: C8H13N3O
Molecular Mass: 167.20832
Monoisotopic Mass: 167.10586205
SMILES and InChIs

SMILES:
n1c(oc(n1)C)C1CCNCC1
Canonical SMILES:
Cc1nnc(o1)C1CCNCC1
InChI:
InChI=1S/C8H13N3O/c1-6-10-11-8(12-6)7-2-4-9-5-3-7/h7,9H,2-5H2,1H3
InChIKey:
NEHQWJALQCSBBX-UHFFFAOYSA-N

Cite this record

CBID:118273 http://www.chembase.cn/molecule-118273.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine
IUPAC Traditional name
4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine
Synonyms
4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine
CAS Number
161609-79-6
MDL Number
MFCD09750319
PubChem SID
162089899
PubChem CID
19029146

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Life Chemicals
F2184-0013 external link Add to cart Please log in.
Data Source Data ID
PubChem 19029146 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.8993485  LogD (pH = 7.4) -3.019118 
Log P -0.6956071  Molar Refractivity 46.2966 cm3
Polarizability 17.153173 Å3 Polar Surface Area 50.95 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Partition Coefficient
0.864 expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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