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828247-79-6 | Oxazole, 4,5-dihydro-4-methyl-5-phenyl-2-(phenylmethyl)-, (4S,5S)-
CAS No: 828247-79-6 Catalog No: AG004T3T MDL No:
Product Description
Catalog Number:
AG004T3T
Chemical Name:
Oxazole, 4,5-dihydro-4-methyl-5-phenyl-2-(phenylmethyl)-, (4S,5S)-
CAS Number:
828247-79-6
Molecular Formula:
C17H17NO
Molecular Weight:
251.3230
IUPAC Name:
(4S,5S)-2-benzyl-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C17H17NO/c1-13-17(15-10-6-3-7-11-15)19-16(18-13)12-14-8-4-2-5-9-14/h2-11,13,17H,12H2,1H3/t13-,17+/m0/s1
InChI Key:
YKEZWKHZRIDKAF-SUMWQHHRSA-N
SMILES:
C[C@@H]1N=C(O[C@H]1c1ccccc1)Cc1ccccc1
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:
3.3
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