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1-{[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3-phenylpiperidine
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ChemBase ID:
322017
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Molecular Formular:
C22H23FN2O
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Molecular Mass:
350.4292232
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Monoisotopic Mass:
350.17944159
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SMILES and InChIs
SMILES:
n1c(c(oc1c1cc(F)ccc1)C)CN1CC(c2ccccc2)CCC1
Canonical SMILES:
Fc1cccc(c1)c1nc(c(o1)C)CN1CCCC(C1)c1ccccc1
InChI:
InChI=1S/C22H23FN2O/c1-16-21(24-22(26-16)18-9-5-11-20(23)13-18)15-25-12-6-10-19(14-25)17-7-3-2-4-8-17/h2-5,7-9,11,13,19H,6,10,12,14-15H2,1H3
InChIKey:
PWAZOVBOIJHBPA-UHFFFAOYSA-N
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Cite this record
CBID:322017 http://www.chembase.cn/molecule-322017.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-{[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3-phenylpiperidine
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IUPAC Traditional name
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1-{[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3-phenylpiperidine
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Synonyms
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1-{[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3-phenylpiperidine
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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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2
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H Donor
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0
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LogD (pH = 5.5)
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1.7012116
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LogD (pH = 7.4)
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3.4326882
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Log P
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4.6541824
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Molar Refractivity
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111.9642 cm3
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Polarizability
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39.3637 Å3
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Polar Surface Area
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29.27 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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true
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H Acceptors
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3
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H Donor
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0
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Log P
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4.88
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LOG S
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-5.41
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Polar Surface Area
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29.27 Å2
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Rotatable Bonds
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4
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent