Home Oxazoles 87691-89-2
87691-89-2,MFCD08060968
Catalog No.:AA003HWU
87691-89-2 | 3-Piperazin-1-yl-1,2-benzisoxazole
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1g
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$565.00   $395.00
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5g
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$2,083.00   $1,458.00
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10g
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HWU
Chemical Name:
3-Piperazin-1-yl-1,2-benzisoxazole
CAS Number:
87691-89-2
Molecular Formula:
C11H13N3O
Molecular Weight:
203.2404
MDL Number:
MFCD08060968
IUPAC Name:
3-piperazin-1-yl-1,2-benzoxazole
InChI:
InChI=1S/C11H13N3O/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2
InChI Key:
ZDFQBFVFCPABKQ-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1noc2c1cccc2
Properties
Computed Properties
 
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.106g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.245g/mol
Monoisotopic Mass:
203.106g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Synonyms
 
87691-89-2 
3-(1-Piperazino)-1,2-benzisoxazole 
3-(Piperazin-1-yl)-1,2-benzisoxazole, 95% 
SCHEMBL194219 
3-piperazinylbenzo[d]isoxazole 
AC1Q1I59 
CHEMBL331092 
CTK5F8899 
DTXSID80530597 
ZDFQBFVFCPABKQ-UHFFFAOYSA-N 
KS-00002AF6 
ZX-AT003483 
3-(1-Piperazinyl)-1,2-benzisoxazole 
3-piperazin-1-yl-benzo[d]isoxazole 
1381AF 
3-(1-piperazinyl)-1,2-benzoxazole 
BDBM50367317 
ZINC12359680 
4(1,2-benzisoxazol-3-yl)piperazine 
4-(1,2-benzisoxazol-3-yl)piperazine 
AKOS005258112 
1-(1,2-Benzisoxazol-3-yl)piperazine 
MCULE-1390677251 
3-(Piperazin-1-yl)benzo[d]isoxazole 
OR54378 
PS-5423 
4- (1,2-benzisoxazol-3-yl)piperazine 
1,2-Benzisoxazole,3-(1-piperazinyl)- 
AC-26265 
AJ-61584 
AN-35406 
ST085924 
AX8088978 
DB-077082 
3-PIPERAZIN-1-YL-1,2-BENZISOXAZOLE 
TR-027578 
FT-0682714 
3-(piperazin-1-yl)-1,2-benzisoxazole 95% 
C-4516 
3-Piperazin-1-yl-1,2-benzisoxazole, AldrichCPR 
691P892 
A842341 
I01-15618 
3-(piperazin-1-yl)benzo[d]isoxazole, 1-(1,2-benzisoxazol-3-yl)piperazine 
C11H13N3O 
3-(Piperazin-1-Yl)-1,2-Benzoxazole 
1-(1,2-benzisothiazol-3-yl)piperazine hydrochloride 
3-(1-piperazinyl)-1,2-Benzisothiazole hydrochloride 
3-piperazin-1-yl-1,2-benzoxazole 
MFCD08060968 
3-(Piperazin-1-yl)-1,2-benzisoxazole 
CHEMBL1203222 
Literature

Title: New 3-benzisothiazolyl and 3-benzisoxazolylpiperazine derivatives with atypical antipsychotic binding profile.

Journal: European journal of medicinal chemistry 20020901

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