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885275-02-5 | 2-(4-(Piperazin-1-yl)phenyl)benzo[d]oxazole
CAS No: 885275-02-5 Catalog No: AG0047KH MDL No:MFCD04115050
Product Description
Catalog Number:
AG0047KH
Chemical Name:
2-(4-(Piperazin-1-yl)phenyl)benzo[d]oxazole
CAS Number:
885275-02-5
Molecular Formula:
C17H17N3O
Molecular Weight:
279.3364
MDL Number:
MFCD04115050
IUPAC Name:
2-(4-piperazin-1-ylphenyl)-1,3-benzoxazole
InChI:
InChI=1S/C17H17N3O/c1-2-4-16-15(3-1)19-17(21-16)13-5-7-14(8-6-13)20-11-9-18-10-12-20/h1-8,18H,9-12H2
InChI Key:
LCMNDMOKEJXAOT-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1ccc(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:
1
Isotope Atom Count:
0
Molecular Weight:
279.343g/mol
Monoisotopic Mass:
279.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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