(4S,4'S)-2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)

Catalog Number	ACM131457460-1
CAS	131457-46-0
Structure
Synonyms	(S,S)-ph-box; (S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
IUPAC Name	(4S)-4-phenyl-2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
Molecular Weight	334.41
Molecular Formula	C21H22N2O2
Canonical SMILES	CC(C)(C1=NC(CO1)C2=CC=CC=C2)C3=NC(CO3)C4=CC=CC=C4
InChI	JTNVCJCSECAMLD-QZTJIDSGSA-N
InChI Key	InChI=1S/C21H22N2O2/c1-21(2,19-22-17(13-24-19)15-9-5-3-6-10-15)20-23-18(14-25-20)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18-/m1/s1
Boiling Point	193 °C at 0.03 mmHg-lit.
Melting Point	37-41 °C-lit.
Appearance	Viscous liquid
Exact Mass	334.168127949
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isomeric SMILES	CC(C)(C1=N[C@H](CO1)C2=CC=CC=C2)C3=N[C@H](CO3)C4=CC=CC=C4
Monoisotopic Mass	334.168127949
Rotatable Bond Count	4
Topological Polar Surface Area	43.2 Ų