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1252576-14-9 | (S)-4-benzyl-2-(quinolin-2-yl)-4,5-dihydrooxazole
CAS No: 1252576-14-9 Catalog No: AG01DTNH MDL No:
Product Description
Catalog Number:
AG01DTNH
Chemical Name:
(S)-4-benzyl-2-(quinolin-2-yl)-4,5-dihydrooxazole
CAS Number:
1252576-14-9
Molecular Formula:
C19H16N2O
Molecular Weight:
288.3431
IUPAC Name:
4-benzyl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C19H16N2O/c1-2-6-14(7-3-1)12-16-13-22-19(20-16)18-11-10-15-8-4-5-9-17(15)21-18/h1-11,16H,12-13H2
InChI Key:
DYPJONUSIRRGAX-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C[C@H]1COC(=N1)c1ccc2c(n1)cccc2
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.126g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.35g/mol
Monoisotopic Mass:
288.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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