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4-(2-fluorophenoxy)-1-{[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine

ChemBase ID: 341296
Molecular Formular: C21H22FN3O3
Molecular Mass: 383.4160832
Monoisotopic Mass: 383.1645198
SMILES and InChIs

SMILES:
n1c(onc1COc1ccccc1)CN1CCC(Oc2c(F)cccc2)CC1
Canonical SMILES:
Fc1ccccc1OC1CCN(CC1)Cc1onc(n1)COc1ccccc1
InChI:
InChI=1S/C21H22FN3O3/c22-18-8-4-5-9-19(18)27-17-10-12-25(13-11-17)14-21-23-20(24-28-21)15-26-16-6-2-1-3-7-16/h1-9,17H,10-15H2
InChIKey:
KREUUJIARYJREH-UHFFFAOYSA-N

Cite this record

CBID:341296 http://www.chembase.cn/molecule-341296.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(2-fluorophenoxy)-1-{[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine
IUPAC Traditional name
4-(2-fluorophenoxy)-1-{[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine
Synonyms
4-(2-fluorophenoxy)-1-{[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13999483 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 2.8659258  LogD (pH = 7.4) 3.6425343 
Log P 3.6710525  Molar Refractivity 103.3309 cm3
Polarizability 39.3471 Å3 Polar Surface Area 60.62 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.03  LOG S -3.6 
Polar Surface Area 60.62 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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