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915920-01-3 molecular structure
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3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine

ChemBase ID: 307176
Molecular Formular: C10H17N3O2
Molecular Mass: 211.26088
Monoisotopic Mass: 211.1320768
SMILES and InChIs

SMILES:
n1c(onc1CCOC)C1CNCCC1
Canonical SMILES:
COCCc1noc(n1)C1CCCNC1
InChI:
InChI=1S/C10H17N3O2/c1-14-6-4-9-12-10(15-13-9)8-3-2-5-11-7-8/h8,11H,2-7H2,1H3
InChIKey:
QXDYUJBMCVLKBX-UHFFFAOYSA-N

Cite this record

CBID:307176 http://www.chembase.cn/molecule-307176.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine
IUPAC Traditional name
3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine
Synonyms
3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine
CAS Number
915920-01-3
MDL Number
MFCD08691546

DATA SOURCES

DATA SOURCES

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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.5976493  LogD (pH = 7.4) -1.2626785 
Log P 0.6370194  Molar Refractivity 57.1696 cm3
Polarizability 21.541943 Å3 Polar Surface Area 60.18 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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