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

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

CAS: 410092-98-7

Formula: C35H27N3O2

SMILES: O1[C@H]([C@@H](N=C1C1=CC=CC(=N1)C1=N[C@H]([C@@H](O1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1

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

InChI: InChI=1S/C35H27N3O2/c1-5-14-24(15-6-1)30-32(26-18-9-3-10-19-26)39-34(37-30)28-22-13-23-29(36-28)35-38-31(25-16-7-2-8-17-25)33(40-35)27-20-11-4-12-21-27/h1-23,30-33H/t30-,31-,32-,33-/m0/s1

Composition: C (80.59%), H (5.22%), N (8.06%), O (6.13%)

Molar Mass: 521.62

Atom Count: 67

Heavy Atom Count: 40

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 4
Exact Mass 521.210327121
Formal Charge 0
FSP3 0.11
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey SMYDLHVQRYQCDL-YRCZKMHPSA-N
Lipinski's Rule of Five
Molar Refractivity 154.85
Topological Polar Surface Area 56.07
Polarizability 60.25
Ring Count 7
Rotatable Bond Count 6

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