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4-[3-(3-fluorophenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]-1,3-oxazolidin-2-one
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ChemBase ID:
398724
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Molecular Formular:
C16H14FN3O4
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Molecular Mass:
331.2984632
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Monoisotopic Mass:
331.09683416
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SMILES and InChIs
SMILES:
c12c(noc2CCN(C(=O)C2NC(=O)OC2)C1)c1cc(F)ccc1
Canonical SMILES:
O=C1OCC(N1)C(=O)N1CCc2c(C1)c(no2)c1cccc(c1)F
InChI:
InChI=1S/C16H14FN3O4/c17-10-3-1-2-9(6-10)14-11-7-20(5-4-13(11)24-19-14)15(21)12-8-23-16(22)18-12/h1-3,6,12H,4-5,7-8H2,(H,18,22)
InChIKey:
FHGBVSBPMCVLID-UHFFFAOYSA-N
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Cite this record
CBID:398724 http://www.chembase.cn/molecule-398724.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-[3-(3-fluorophenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]-1,3-oxazolidin-2-one
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IUPAC Traditional name
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4-[3-(3-fluorophenyl)-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]-1,3-oxazolidin-2-one
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Synonyms
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4-{[3-(3-fluorophenyl)-6,7-dihydroisoxazolo[4,5-c]pyridin-5(4H)-yl]carbonyl}-1,3-oxazolidin-2-one
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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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11.095802
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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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0.96748614
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LogD (pH = 7.4)
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0.96740985
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Log P
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0.96748734
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Molar Refractivity
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80.7954 cm3
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Polarizability
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31.56715 Å3
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Polar Surface Area
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84.67 Å2
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Rotatable Bonds
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2
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Lipinski's Rule of Five
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true
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H Acceptors
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5
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H Donor
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1
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Log P
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0.65
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LOG S
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-2.17
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Polar Surface Area
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84.67 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