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1-({3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl}methyl)-4-(3-methoxypropyl)piperidine
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ChemBase ID:
350143
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Molecular Formular:
C19H26FN3O2
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Molecular Mass:
347.4270432
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Monoisotopic Mass:
347.20090531
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SMILES and InChIs
SMILES:
n1c(onc1Cc1cc(F)ccc1)CN1CCC(CC1)CCCOC
Canonical SMILES:
COCCCC1CCN(CC1)Cc1onc(n1)Cc1cccc(c1)F
InChI:
InChI=1S/C19H26FN3O2/c1-24-11-3-5-15-7-9-23(10-8-15)14-19-21-18(22-25-19)13-16-4-2-6-17(20)12-16/h2,4,6,12,15H,3,5,7-11,13-14H2,1H3
InChIKey:
RWFRWYCSHCRUTP-UHFFFAOYSA-N
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Cite this record
CBID:350143 http://www.chembase.cn/molecule-350143.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-({3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl}methyl)-4-(3-methoxypropyl)piperidine
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IUPAC Traditional name
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1-({3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl}methyl)-4-(3-methoxypropyl)piperidine
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Synonyms
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1-{[3-(3-fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(3-methoxypropyl)piperidine
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
H Acceptors
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4
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H Donor
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0
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LogD (pH = 5.5)
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1.7849432
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LogD (pH = 7.4)
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3.263169
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Log P
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3.467114
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Molar Refractivity
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96.679 cm3
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Polarizability
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36.369835 Å3
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Polar Surface Area
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51.39 Å2
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Rotatable Bonds
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8
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Lipinski's Rule of Five
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true
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H Acceptors
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5
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H Donor
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0
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Log P
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2.67
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LOG S
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-3.18
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Polar Surface Area
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51.39 Å2
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Rotatable Bonds
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7
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent