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915921-88-9 molecular structure
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3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidine

ChemBase ID: 307175
Molecular Formular: C11H19N3O
Molecular Mass: 209.28806
Monoisotopic Mass: 209.15281224
SMILES and InChIs

SMILES:
n1c(onc1CC(C)C)C1CNCCC1
Canonical SMILES:
CC(Cc1noc(n1)C1CCCNC1)C
InChI:
InChI=1S/C11H19N3O/c1-8(2)6-10-13-11(15-14-10)9-4-3-5-12-7-9/h8-9,12H,3-7H2,1-2H3
InChIKey:
APINFVMTWMDIIJ-UHFFFAOYSA-N

Cite this record

CBID:307175 http://www.chembase.cn/molecule-307175.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidine
IUPAC Traditional name
3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidine
Synonyms
3-(3-isobutyl-1,2,4-oxadiazol-5-yl)piperidine
CAS Number
915921-88-9
MDL Number
MFCD08691545

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.1820346  LogD (pH = 7.4) 0.15212184 
Log P 2.0529487  Molar Refractivity 59.7933 cm3
Polarizability 22.655148 Å3 Polar Surface Area 50.95 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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