Home Other Building Blocks 1-{1-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}piperazine

1-{1-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}piperazine

CAS No.:
1285080-85-4
Catalog Number:
AG01A75G
Molecular Formula:
C12H16N4OS
Molecular Weight:
264.3466
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Product Description
Catalog Number:
AG01A75G
Chemical Name:
1-{1-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}piperazine
CAS Number:
1285080-85-4
Molecular Formula:
C12H16N4OS
Molecular Weight:
264.3466
MDL Number:
MFCD17932855
IUPAC Name:
5-(1-piperazin-1-ylethyl)-3-thiophen-2-yl-1,2,4-oxadiazole
InChI:
InChI=1S/C12H16N4OS/c1-9(16-6-4-13-5-7-16)12-14-11(15-17-12)10-3-2-8-18-10/h2-3,8-9,13H,4-7H2,1H3
InChI Key:
PXHCKHNTCUSXSA-UHFFFAOYSA-N
SMILES:
CC(c1onc(n1)c1cccs1)N1CCNCC1
Properties
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.104g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
264.347g/mol
Monoisotopic Mass:
264.104g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties