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86187-67-9 | Pyridine, 3-[2-(2-ethoxy-1,1-dimethylethyl)-4-phenyl-5-oxazolyl]-
CAS No: 86187-67-9 Catalog No: AG004SW3 MDL No:
Product Description
Catalog Number:
AG004SW3
Chemical Name:
Pyridine, 3-[2-(2-ethoxy-1,1-dimethylethyl)-4-phenyl-5-oxazolyl]-
CAS Number:
86187-67-9
Molecular Formula:
C20H22N2O2
Molecular Weight:
322.4009
IUPAC Name:
2-(1-ethoxy-2-methylpropan-2-yl)-4-phenyl-5-pyridin-3-yl-1,3-oxazole
InChI:
InChI=1S/C20H22N2O2/c1-4-23-14-20(2,3)19-22-17(15-9-6-5-7-10-15)18(24-19)16-11-8-12-21-13-16/h5-13H,4,14H2,1-3H3
InChI Key:
XEZMFRLXEQTRPU-UHFFFAOYSA-N
SMILES:
CCOCC(c1nc(c(o1)c1cccnc1)c1ccccc1)(C)C
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.168g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.408g/mol
Monoisotopic Mass:
322.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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