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915924-48-0 molecular structure
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3-[5-(pyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]pyridine

ChemBase ID: 307170
Molecular Formular: C11H12N4O
Molecular Mass: 216.23918
Monoisotopic Mass: 216.10111102
SMILES and InChIs

SMILES:
n1c(onc1c1cnccc1)C1NCCC1
Canonical SMILES:
C1CNC(C1)c1onc(n1)c1cccnc1
InChI:
InChI=1S/C11H12N4O/c1-3-8(7-12-5-1)10-14-11(16-15-10)9-4-2-6-13-9/h1,3,5,7,9,13H,2,4,6H2
InChIKey:
GSELZSLDFVXXLZ-UHFFFAOYSA-N

Cite this record

CBID:307170 http://www.chembase.cn/molecule-307170.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[5-(pyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]pyridine
IUPAC Traditional name
3-[5-(pyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]pyridine
Synonyms
3-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)pyridine
CAS Number
915924-48-0
MDL Number
MFCD08691541

DATA SOURCES

DATA SOURCES

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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6220793  LogD (pH = 7.4) 0.11801801 
Log P 1.155405  Molar Refractivity 69.7896 cm3
Polarizability 22.98553 Å3 Polar Surface Area 63.84 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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