Home Other Building Blocks 2-[5-(piperidin-2-yl)-1,2,4-oxadiazol-3-yl]pyrimidine

2-[5-(piperidin-2-yl)-1,2,4-oxadiazol-3-yl]pyrimidine

CAS No.:
1154008-12-4
Catalog Number:
AG01AGZ5
Molecular Formula:
C11H13N5O
Molecular Weight:
231.2538
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Product Description
Catalog Number:
AG01AGZ5
Chemical Name:
2-[5-(piperidin-2-yl)-1,2,4-oxadiazol-3-yl]pyrimidine
CAS Number:
1154008-12-4
Molecular Formula:
C11H13N5O
Molecular Weight:
231.2538
MDL Number:
MFCD12093734
IUPAC Name:
5-piperidin-2-yl-3-pyrimidin-2-yl-1,2,4-oxadiazole
InChI:
InChI=1S/C11H13N5O/c1-2-5-12-8(4-1)11-15-10(16-17-11)9-13-6-3-7-14-9/h3,6-8,12H,1-2,4-5H2
InChI Key:
CWBQBSJQFNMMIS-UHFFFAOYSA-N
SMILES:
C1CCC(NC1)c1onc(n1)c1ncccn1
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.112g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.259g/mol
Monoisotopic Mass:
231.112g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties