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(4S)-2-[1,3-bis(4-tert-butylphenyl)-2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole

(4S)-2-[1,3-bis(4-tert-butylphenyl)-2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole

CAS: 2757082-32-7

Formula: C31H42N2O2

SMILES: C[C@H]1COC(=N1)C(CC1=CC=C(C=C1)C(C)(C)C)(CC1=CC=C(C=C1)C(C)(C)C)C1=N[C@@H](C)CO1

IUPAC: (4S)-2-[1,3-bis(4-tert-butylphenyl)-2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole

InChI: InChI=1S/C31H42N2O2/c1-21-19-34-27(32-21)31(28-33-22(2)20-35-28,17-23-9-13-25(14-10-23)29(3,4)5)18-24-11-15-26(16-12-24)30(6,7)8/h9-16,21-22H,17-20H2,1-8H3/t21-,22-/m0/s1

Composition: C (78.44%), H (8.92%), N (5.90%), O (6.74%)

Molar Mass: 474.689

Atom Count: 77

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 474.3246286
Formal Charge 0
FSP3 0.55
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey GACZHSJWUGWHBO-VXKWHMMOSA-N
Lipinski's Rule of Five
Molar Refractivity 143.67
Topological Polar Surface Area 43.18
Polarizability 56.01
Ring Count 4
Rotatable Bond Count 8

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