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871086-57-6 | Pyridine, 4-[5-(4-methoxyphenyl)-2-oxazolyl]-2,6-dimethyl-
CAS No: 871086-57-6 Catalog No: AG004TZP MDL No:
Product Description
Catalog Number:
AG004TZP
Chemical Name:
Pyridine, 4-[5-(4-methoxyphenyl)-2-oxazolyl]-2,6-dimethyl-
CAS Number:
871086-57-6
Molecular Formula:
C17H16N2O2
Molecular Weight:
280.3211
IUPAC Name:
2-(2,6-dimethylpyridin-4-yl)-5-(4-methoxyphenyl)-1,3-oxazole
InChI:
InChI=1S/C17H16N2O2/c1-11-8-14(9-12(2)19-11)17-18-10-16(21-17)13-4-6-15(20-3)7-5-13/h4-10H,1-3H3
InChI Key:
NBJNNPCLSYOZQO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cnc(o1)c1cc(C)nc(c1)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.327g/mol
Monoisotopic Mass:
280.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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