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276236-96-5 molecular structure
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4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine

ChemBase ID: 307179
Molecular Formular: C13H15N3O
Molecular Mass: 229.2777
Monoisotopic Mass: 229.12151212
SMILES and InChIs

SMILES:
n1c(noc1C1CCNCC1)c1ccccc1
Canonical SMILES:
N1CCC(CC1)c1onc(n1)c1ccccc1
InChI:
InChI=1S/C13H15N3O/c1-2-4-10(5-3-1)12-15-13(17-16-12)11-6-8-14-9-7-11/h1-5,11,14H,6-9H2
InChIKey:
FRSNRGPKFYZBJA-UHFFFAOYSA-N

Cite this record

CBID:307179 http://www.chembase.cn/molecule-307179.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine
IUPAC Traditional name
4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine
Synonyms
4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine
CAS Number
276236-96-5
MDL Number
MFCD08691549

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) -0.9408568  LogD (pH = 7.4) 0.07166092 
Log P 2.3732088  Molar Refractivity 76.9575 cm3
Polarizability 25.639362 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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