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(4R)-4-cyclohexyl-2-[2-(diphenylphosphanyl)phenyl]-4,5-dihydro-1,3-oxazole

(4R)-4-cyclohexyl-2-[2-(diphenylphosphanyl)phenyl]-4,5-dihydro-1,3-oxazole

CAS: 944836-02-6

Formula: C27H28NOP

SMILES: C1OC(=N[C@@H]1C1CCCCC1)C1=CC=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: (4R)-4-cyclohexyl-2-[2-(diphenylphosphanyl)phenyl]-4,5-dihydro-1,3-oxazole

InChI: InChI=1S/C27H28NOP/c1-4-12-21(13-5-1)25-20-29-27(28-25)24-18-10-11-19-26(24)30(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h2-3,6-11,14-19,21,25H,1,4-5,12-13,20H2/t25-/m0/s1

Composition: C (78.43%), H (6.83%), N (3.39%), O (3.87%), P (7.49%)

Molar Mass: 413.501

Atom Count: 58

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 413.190851524
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey MNMYEHCIHFXGHU-VWLOTQADSA-N
Lipinski's Rule of Five
Molar Refractivity 124.32
Topological Polar Surface Area 21.59
Polarizability 48.8
Ring Count 5
Rotatable Bond Count 5

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