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199292-76-7 | Benzoxazole, 5,7-dimethyl-2-(1-piperazinyl)-
CAS No: 199292-76-7 Catalog No: AG002C0Q MDL No:
Product Description
Catalog Number:
AG002C0Q
Chemical Name:
Benzoxazole, 5,7-dimethyl-2-(1-piperazinyl)-
CAS Number:
199292-76-7
Molecular Formula:
C13H17N3O
Molecular Weight:
231.2936
IUPAC Name:
5,7-dimethyl-2-piperazin-1-yl-1,3-benzoxazole
InChI:
InChI=1S/C13H17N3O/c1-9-7-10(2)12-11(8-9)15-13(17-12)16-5-3-14-4-6-16/h7-8,14H,3-6H2,1-2H3
InChI Key:
WRDXLOOVDBHBLW-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)nc(o2)N1CCNCC1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.299g/mol
Monoisotopic Mass:
231.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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