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116046-66-3 | Oxazole, 5-(4-methoxyphenyl)-2-[4-(5-phenyl-2-oxazolyl)phenyl]- (9CI)
CAS No: 116046-66-3 Catalog No: AG000BGD MDL No:
Product Description
Catalog Number:
AG000BGD
Chemical Name:
Oxazole, 5-(4-methoxyphenyl)-2-[4-(5-phenyl-2-oxazolyl)phenyl]- (9CI)
CAS Number:
116046-66-3
Molecular Formula:
C25H18N2O3
Molecular Weight:
394.4220
IUPAC Name:
2-[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]phenyl]-5-phenyl-1,3-oxazole
InChI:
InChI=1S/C25H18N2O3/c1-28-21-13-11-18(12-14-21)23-16-27-25(30-23)20-9-7-19(8-10-20)24-26-15-22(29-24)17-5-3-2-4-6-17/h2-16H,1H3
InChI Key:
CBQBGGPOCNKHID-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cnc(o1)c1ccc(cc1)c1ncc(o1)c1ccccc1
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.132g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.43g/mol
Monoisotopic Mass:
394.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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