Home Oxazoles 1006-65-1
1006-65-1,MFCD00464218
Catalog No.:AA0002D1
1006-65-1 | 3-Phenyl-1,2-oxazole
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1g
96%
in stock  
$108.00   $75.00
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5g
96%
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$508.00   $356.00
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10g
96%
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$921.00   $645.00
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  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0002D1
Chemical Name:
3-Phenyl-1,2-oxazole
CAS Number:
1006-65-1
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
MDL Number:
MFCD00464218
IUPAC Name:
3-phenyl-1,2-oxazole
InChI:
InChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-7H
InChI Key:
ZBRDJMFLJXFIGJ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1nocc1
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
 
3-Phenylisoxazole 
1006-65-1 
SCHEMBL139209 
3-Phenylisoxazole, AldrichCPR 
CHEMBL3276979 
CTK0H8899 
DTXSID60143422 
ACT07997 
ZINC6116790 
ANW-14340 
AKOS006271674 
CJ-12926 
Isoxazole, 3-phenyl- 
DB-006519 
TC-103085 
FT-0600229 
Z6303 
K-0183 
C9H7NO 
CID136798 
3-phenyl-1,2-oxazole 
ZBRDJMFLJXFIGJ-UHFFFAOYSA-N 
phenylisoxazole 
3-phenyl isoxazole 
3-phenyl-isoxazole 
ACMC-2097rq 
AC1L39AV 
Literature

Title: Synthesis and biological evaluation of isoxazole, oxazole, and oxadiazole containing heteroaryl analogs of biaryl ureas as DGAT1 inhibitors.

Journal: European journal of medicinal chemistry 20120801

Title: Fragment-based discovery of bromodomain inhibitors part 2: optimization of phenylisoxazole sulfonamides.

Journal: Journal of medicinal chemistry 20120126

Title: Phenyl isoxazole voltage-gated sodium channel blockers: structure and activity relationship.

Journal: Bioorganic & medicinal chemistry letters 20110701

Title: Novel mechanism of inhibition of human angiotensin-I-converting enzyme (ACE) by a highly specific phosphinic tripeptide.

Journal: The Biochemical journal 20110515

Title: Use of the nitrile oxide cycloaddition (NOC) reaction for molecular probe generation: a new class of enzyme selective histone deacetylase inhibitors (HDACIs) showing picomolar activity at HDAC6.

Journal: Journal of medicinal chemistry 20080814

Title: Carbonic anhydrase inhibitors: Valdecoxib binds to a different active site region of the human isoform II as compared to the structurally related cyclooxygenase II 'selective' inhibitor celecoxib.

Journal: Bioorganic & medicinal chemistry letters 20060115

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