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5-bromo-2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine

5-bromo-2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine

CAS: 2757083-65-9

Formula: C20H15BrN2O

SMILES: BrC1=CC=C(N=C1)C1=N[C@@H]([C@@H](O1)C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: 5-bromo-2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine

InChI: InChI=1S/C20H15BrN2O/c21-16-11-12-17(22-13-16)20-23-18(14-7-3-1-4-8-14)19(24-20)15-9-5-2-6-10-15/h1-13,18-19H/t18-,19+/m1/s1

Composition: C (63.34%), H (3.99%), Br (21.07%), N (7.39%), O (4.22%)

Molar Mass: 379.257

Atom Count: 39

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 378.036776
Formal Charge 0
FSP3 0.1
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey YGHVBNQNBBARIM-MOPGFXCFSA-N
Lipinski's Rule of Five
Molar Refractivity 97
Topological Polar Surface Area 34.48
Polarizability 37.49
Ring Count 4
Rotatable Bond Count 3

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