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

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

CAS: 2635322-22-2

Formula: C21H15F3N2O

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

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

InChI: InChI=1S/C21H15F3N2O/c22-21(23,24)16-11-12-17(25-13-16)20-26-18(14-7-3-1-4-8-14)19(27-20)15-9-5-2-6-10-15/h1-13,18-19H/t18-,19+/m1/s1

Composition: C (68.47%), H (4.10%), F (15.47%), N (7.61%), O (4.34%)

Molar Mass: 368.359

Atom Count: 42

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 368.1136476
Formal Charge 0
FSP3 0.14
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey QFLUMJQUCAPCRJ-MOPGFXCFSA-N
Lipinski's Rule of Five
Molar Refractivity 95.35
Topological Polar Surface Area 34.48
Polarizability 35.77
Ring Count 4
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
99% <5 Days 2635322-22-2 $51.70-$380.82$51.70$108.45$380.82
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