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78812-86-9 | Oxazole, 2-butyl-4,5-diphenyl-
CAS No: 78812-86-9 Catalog No: AG005DFW MDL No:
Product Description
Catalog Number:
AG005DFW
Chemical Name:
Oxazole, 2-butyl-4,5-diphenyl-
CAS Number:
78812-86-9
Molecular Formula:
C19H19NO
Molecular Weight:
277.3603
IUPAC Name:
2-butyl-4,5-diphenyl-1,3-oxazole
InChI:
InChI=1S/C19H19NO/c1-2-3-14-17-20-18(15-10-6-4-7-11-15)19(21-17)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3
InChI Key:
PVHIOBGQIUJWCB-UHFFFAOYSA-N
SMILES:
CCCCc1nc(c(o1)c1ccccc1)c1ccccc1
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.367g/mol
Monoisotopic Mass:
277.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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