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88122-91-2 | Oxazole, 5-ethyl-4,5-dihydro-2,4-diphenyl-, trans-
CAS No: 88122-91-2 Catalog No: AG004DWN MDL No:
Product Description
Catalog Number:
AG004DWN
Chemical Name:
Oxazole, 5-ethyl-4,5-dihydro-2,4-diphenyl-, trans-
CAS Number:
88122-91-2
Molecular Formula:
C17H17NO
Molecular Weight:
251.3230
IUPAC Name:
(4S,5S)-5-ethyl-2,4-diphenyl-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C17H17NO/c1-2-15-16(13-9-5-3-6-10-13)18-17(19-15)14-11-7-4-8-12-14/h3-12,15-16H,2H2,1H3/t15-,16-/m0/s1
InChI Key:
DUASKDWOUYFEPU-HOTGVXAUSA-N
SMILES:
CC[C@@H]1OC(=N[C@H]1c1ccccc1)c1ccccc1
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
251.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.329g/mol
Monoisotopic Mass:
251.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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