NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
(4Z)-3-methyl-4-(phenylmethylidene)-4,5-dihydro-1,2-oxazol-5-one
|
|
|
IUPAC Traditional name
|
(4Z)-3-methyl-4-(phenylmethylidene)-1,2-oxazol-5-one
|
|
|
Synonyms
|
(4Z)-4-Benzylidene-3-methylisoxazol-5(4H)-one
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
|
2
|
H Donor
|
0
|
LogD (pH = 5.5)
|
2.661979
|
LogD (pH = 7.4)
|
2.6620064
|
Log P
|
2.6620066
|
Molar Refractivity
|
53.0148 cm3
|
Polarizability
|
20.126282 Å3
|
Polar Surface Area
|
38.66 Å2
|
Rotatable Bonds
|
1
|
Lipinski's Rule of Five
|
true
|
PROPERTIES
PROPERTIES
Safety Information
Bioassay(PubChem)
Storage Warning
|
IRRITANT
|
Show
data source
|
|
MSDS Link
|
|
PATENTS
PATENTS
PubChem Patent
Google Patent