NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-(4-fluorophenyl)-4-[2-(propan-2-yl)-1,3-benzoxazole-5-carbonyl]piperazin-2-one
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IUPAC Traditional name
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3-(4-fluorophenyl)-4-(2-isopropyl-1,3-benzoxazole-5-carbonyl)piperazin-2-one
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Synonyms
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3-(4-fluorophenyl)-4-[(2-isopropyl-1,3-benzoxazol-5-yl)carbonyl]-2-piperazinone
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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)
Acid pKa
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12.756646
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H Acceptors
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3
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H Donor
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1
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LogD (pH = 5.5)
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2.7867668
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LogD (pH = 7.4)
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2.786766
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Log P
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2.786768
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Molar Refractivity
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100.6458 cm3
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Polarizability
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39.216324 Å3
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Polar Surface Area
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75.44 Å2
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Rotatable Bonds
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3
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Lipinski's Rule of Five
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true
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H Acceptors
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4
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H Donor
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1
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Log P
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3.36
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LOG S
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-3.25
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Polar Surface Area
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75.44 Å2
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Rotatable Bonds
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2
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent