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205501-65-1 | Benzoxazole, 2-(4-phenyl-1-piperazinyl)-
CAS No: 205501-65-1 Catalog No: AG002A49 MDL No:
Product Description
Catalog Number:
AG002A49
Chemical Name:
Benzoxazole, 2-(4-phenyl-1-piperazinyl)-
CAS Number:
205501-65-1
Molecular Formula:
C17H17N3O
Molecular Weight:
279.3364
IUPAC Name:
2-(4-phenylpiperazin-1-yl)-1,3-benzoxazole
InChI:
InChI=1S/C17H17N3O/c1-2-6-14(7-3-1)19-10-12-20(13-11-19)17-18-15-8-4-5-9-16(15)21-17/h1-9H,10-13H2
InChI Key:
YFVQVZNTOQROMY-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N1CCN(CC1)c1nc2c(o1)cccc2
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.137g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.343g/mol
Monoisotopic Mass:
279.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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