Home Amines 116248-10-3
116248-10-3,MFCD00579116
Catalog No.:AA000BYD
116248-10-3 | 2-(4-Fluorophenyl)-1,3-benzoxazol-5-amine
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Technical Information
Catalog Number:
AA000BYD
Chemical Name:
2-(4-Fluorophenyl)-1,3-benzoxazol-5-amine
CAS Number:
116248-10-3
Molecular Formula:
C13H9FN2O
Molecular Weight:
228.2218
MDL Number:
MFCD00579116
IUPAC Name:
2-(4-fluorophenyl)-1,3-benzoxazol-5-amine
InChI:
InChI=1S/C13H9FN2O/c14-9-3-1-8(2-4-9)13-16-11-7-10(15)5-6-12(11)17-13/h1-7H,15H2
InChI Key:
OHKSDBATRIWCTK-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1nc2c(o1)ccc(c2)N
Properties
Computed Properties
 
Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.07g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.226g/mol
Monoisotopic Mass:
228.07g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Synonyms
 
116248-10-3 
2-(4-Fluoro-phenyl)-benzooxazol-5-ylamine 
Oprea1_789133 
CHEMBL231682 
CTK0G0530 
ZINC38190 
DTXSID00350193 
ALBB-026753 
BB_SC-08688 
ZX-AN025262 
BBL008048 
CCG-18372 
2-(4-fluorophenyl)-1,3-benzoxazol-5-amine 
MFCD00579116 
SBB007307 
STK045311 
2-[4-Fluorophenyl]benzoxazol-5-amine 
AKOS000108423 
2-(4-fluorophenyl)-5-aminobenzoxazole 
MCULE-5939960474 
SEL10037472 
ST054050 
AB0218251 
5-Benzoxazolamine, 2-(4-fluorophenyl)- 
TR-041232 
AB00540828 
BB 0245224 
R3467 
SR-01000461599 
SR-01000461599-1 
CID675396 
2-(4-fluorophenyl)benzo[d]oxazol-5-amine 
2-(4-fluorophenyl)benzoxazole-5-ylamine 
BAS 06839527 
ACMC-20dvi5 
AC1LDU9Y 
Oprea1_235468 
Literature

Title: Some benzoxazoles and benzimidazoles as DNA topoisomerase I and II inhibitors.

Journal: Journal of enzyme inhibition and medicinal chemistry 20080201

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