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160380-45-0 | Benzoxazole, 2-[2-[4-(4-morpholinyl)phenyl]ethenyl]-5-phenyl-
CAS No: 160380-45-0 Catalog No: AG001RW1 MDL No:
Product Description
Catalog Number:
AG001RW1
Chemical Name:
Benzoxazole, 2-[2-[4-(4-morpholinyl)phenyl]ethenyl]-5-phenyl-
CAS Number:
160380-45-0
Molecular Formula:
C25H22N2O2
Molecular Weight:
382.4544
IUPAC Name:
2-[2-(4-morpholin-4-ylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
InChI:
InChI=1S/C25H22N2O2/c1-2-4-20(5-3-1)21-9-12-24-23(18-21)26-25(29-24)13-8-19-6-10-22(11-7-19)27-14-16-28-17-15-27/h1-13,18H,14-17H2
InChI Key:
UOUWLJSWHKUEPK-UHFFFAOYSA-N
SMILES:
O1CCN(CC1)c1ccc(cc1)C=Cc1nc2c(o1)ccc(c2)c1ccccc1
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.168g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.463g/mol
Monoisotopic Mass:
382.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.4
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