NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
1-[(2,5-difluorophenyl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
|
|
|
IUPAC Traditional name
|
1-[(2,5-difluorophenyl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
|
|
|
Synonyms
|
1-(2,5-difluorobenzyl)-4-[(3-phenyl-5-isoxazolyl)methyl]-4-piperidinol
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
|
14.293597
|
H Acceptors
|
3
|
H Donor
|
1
|
LogD (pH = 5.5)
|
2.193921
|
LogD (pH = 7.4)
|
3.4397645
|
Log P
|
3.5439298
|
Molar Refractivity
|
104.2091 cm3
|
Polarizability
|
40.389786 Å3
|
Polar Surface Area
|
49.5 Å2
|
Rotatable Bonds
|
5
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
4
|
H Donor
|
1
|
Log P
|
3.3
|
LOG S
|
-5.06
|
Polar Surface Area
|
49.5 Å2
|
Rotatable Bonds
|
5
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent