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91076-79-8 | Piperazine, 1-phenyl-4-(5-phenyl-3-isoxazolyl)-
CAS No: 91076-79-8 Catalog No: AG006R1Y MDL No:
Product Description
Catalog Number:
AG006R1Y
Chemical Name:
Piperazine, 1-phenyl-4-(5-phenyl-3-isoxazolyl)-
CAS Number:
91076-79-8
Molecular Formula:
C19H19N3O
Molecular Weight:
305.3737
IUPAC Name:
5-phenyl-3-(4-phenylpiperazin-1-yl)-1,2-oxazole
InChI:
InChI=1S/C19H19N3O/c1-3-7-16(8-4-1)18-15-19(20-23-18)22-13-11-21(12-14-22)17-9-5-2-6-10-17/h1-10,15H,11-14H2
InChI Key:
UGSAVOIPRUAVPJ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N1CCN(CC1)c1noc(c1)c1ccccc1
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.153g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.381g/mol
Monoisotopic Mass:
305.153g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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