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2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-6-methylpyridine

2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-6-methylpyridine

CAS: 2411385-99-2

Formula: C21H18N2O

SMILES: CC1=CC=CC(=N1)C1=N[C@H]([C@H](O1)C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: 2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-6-methylpyridine

InChI: InChI=1S/C21H18N2O/c1-15-9-8-14-18(22-15)21-23-19(16-10-4-2-5-11-16)20(24-21)17-12-6-3-7-13-17/h2-14,19-20H,1H3/t19-,20+/m0/s1

Composition: C (80.23%), H (5.77%), N (8.91%), O (5.09%)

Molar Mass: 314.388

Atom Count: 42

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 314.141913208
Formal Charge 0
FSP3 0.14
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey BGTTVPHCAMIMIN-VQTJNVASSA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.97
Topological Polar Surface Area 34.48
Polarizability 36.61
Ring Count 4
Rotatable Bond Count 3

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