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205178-49-0 | Oxazole, 4,5-dihydro-4-methyl-2,5-diphenyl-, (4S,5R)-
CAS No: 205178-49-0 Catalog No: AG0029WR MDL No:
Product Description
Catalog Number:
AG0029WR
Chemical Name:
Oxazole, 4,5-dihydro-4-methyl-2,5-diphenyl-, (4S,5R)-
CAS Number:
205178-49-0
Molecular Formula:
C16H15NO
Molecular Weight:
237.2964
IUPAC Name:
(4S,5R)-4-methyl-2,5-diphenyl-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C16H15NO/c1-12-15(13-8-4-2-5-9-13)18-16(17-12)14-10-6-3-7-11-14/h2-12,15H,1H3/t12-,15-/m0/s1
InChI Key:
FBQLSYLRJWTPGK-WFASDCNBSA-N
SMILES:
C[C@@H]1N=C(O[C@@H]1c1ccccc1)c1ccccc1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
237.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.302g/mol
Monoisotopic Mass:
237.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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