Home Oxazoles 1006-67-3
1006-67-3,MFCD00090038
Catalog No.:AA0002D0
1006-67-3 | 5-Phenylisoxazole
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1g
98%
in stock  
$114.00   $80.00
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5g
98%
in stock  
$508.00   $355.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0002D0
Chemical Name:
5-Phenylisoxazole
CAS Number:
1006-67-3
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
MDL Number:
MFCD00090038
IUPAC Name:
5-phenyl-1,2-oxazole
InChI:
InChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H
InChI Key:
BXQDLEHCXQQSCH-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ccno1
NSC Number:
195338
Properties
Computed Properties
 
Complexity:
121  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.053g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.161g/mol
Monoisotopic Mass:
145.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Synonyms
 
5-phenylisoxazole 
1006-67-3 
AC1L39B1 
CTK0I0825 
DTXSID20143423 
BXQDLEHCXQQSCH-UHFFFAOYSA-N 
ZINC158748 
KS-000017NW 
5903AH 
BDBM50078826 
MFCD00090038 
SBB086408 
Isoxazole, 5-phenyl- 
AKOS009158038 
NSC-195338 
PS-4277 
ZB007053 
DB-058473 
FT-0620763 
P2309 
K-0184 
C9H7NO 
CID136800 
5-phenyl-1,2-oxazole 
5-Phenyl-isoxazole 
CHEMBL81948 
NSC195338 
1-(Isoxazol-5-yl)benzene 
SCHEMBL136631 
5-Phenylisoxazole, AldrichCPR 
Literature

Title: Pyrazole and isoxazole derivatives as new, potent, and selective 20-hydroxy-5,8,11,14-eicosatetraenoic acid synthase inhibitors.

Journal: Journal of medicinal chemistry 20031204

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