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89393-47-5 | Oxazole, 2-(2'-ethyl[1,1'-biphenyl]-3-yl)-4,5-dihydro-4,4-dimethyl-
CAS No: 89393-47-5 Catalog No: AG003WAX MDL No:
Product Description
Catalog Number:
AG003WAX
Chemical Name:
Oxazole, 2-(2'-ethyl[1,1'-biphenyl]-3-yl)-4,5-dihydro-4,4-dimethyl-
CAS Number:
89393-47-5
Molecular Formula:
C19H21NO
Molecular Weight:
279.3761
IUPAC Name:
2-[3-(2-ethylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
InChI:
InChI=1S/C19H21NO/c1-4-14-8-5-6-11-17(14)15-9-7-10-16(12-15)18-20-19(2,3)13-21-18/h5-12H,4,13H2,1-3H3
InChI Key:
BDFKNRPOTOJQML-UHFFFAOYSA-N
SMILES:
CCc1ccccc1c1cccc(c1)C1=NC(CO1)(C)C
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.162g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.383g/mol
Monoisotopic Mass:
279.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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