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114791-09-2 | Benzoxazole, 2-[2-(4-methyl-1-piperazinyl)ethyl]-
CAS No: 114791-09-2 Catalog No: AG000F8D MDL No:
Product Description
Catalog Number:
AG000F8D
Chemical Name:
Benzoxazole, 2-[2-(4-methyl-1-piperazinyl)ethyl]-
CAS Number:
114791-09-2
Molecular Formula:
C14H19N3O
Molecular Weight:
245.3202
IUPAC Name:
2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-benzoxazole
InChI:
InChI=1S/C14H19N3O/c1-16-8-10-17(11-9-16)7-6-14-15-12-4-2-3-5-13(12)18-14/h2-5H,6-11H2,1H3
InChI Key:
BAJANVCGDZRAHN-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)CCc1nc2c(o1)cccc2
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.153g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.326g/mol
Monoisotopic Mass:
245.153g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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