NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
methyl 3-(3-hydroxyphenyl)-1,2-oxazole-5-carboxylate
|
|
|
IUPAC Traditional name
|
methyl 3-(3-hydroxyphenyl)-1,2-oxazole-5-carboxylate
|
|
|
Synonyms
|
3-(3-Hydroxyphenyl)isoxazole-5-carboxylic acid methyl ester
|
Methyl 3-(3-hydroxyphenyl)-1,2-isoxazole-5-carboxylate
|
|
|
MDL Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
9.537198
|
H Acceptors
|
3
|
H Donor
|
1
|
LogD (pH = 5.5)
|
1.9907401
|
LogD (pH = 7.4)
|
1.9876443
|
Log P
|
1.9907796
|
Molar Refractivity
|
56.1479 cm3
|
Polarizability
|
22.315336 Å3
|
Polar Surface Area
|
72.56 Å2
|
Rotatable Bonds
|
3
|
Lipinski's Rule of Five
|
true
|
PROPERTIES
PROPERTIES
Safety Information
Bioassay(PubChem)
Storage Warning
|
Irritant/Light Sensitive
|
Show
data source
|
|
PATENTS
PATENTS
PubChem Patent
Google Patent