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(4S)-4-[(2S)-butan-2-yl]-2-[2-(diphenylphosphanyl)phenyl]-4,5-dihydro-1,3-oxazole

(4S)-4-[(2S)-butan-2-yl]-2-[2-(diphenylphosphanyl)phenyl]-4,5-dihydro-1,3-oxazole

CAS: 2634687-75-3

Formula: C25H26NOP

SMILES: CC[C@H](C)[C@H]1COC(=N1)C1=CC=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: (4S)-4-[(2S)-butan-2-yl]-2-[2-(diphenylphosphanyl)phenyl]-4,5-dihydro-1,3-oxazole

InChI: InChI=1S/C25H26NOP/c1-3-19(2)23-18-27-25(26-23)22-16-10-11-17-24(22)28(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-17,19,23H,3,18H2,1-2H3/t19-,23+/m0/s1

Composition: C (77.50%), H (6.76%), N (3.62%), O (4.13%), P (7.99%)

Molar Mass: 387.463

Atom Count: 54

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 387.175201459
Formal Charge 0
FSP3 0.24
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey JHDSMMAHIVXAPW-WMZHIEFXSA-N
Lipinski's Rule of Five
Molar Refractivity 116.92
Topological Polar Surface Area 21.59
Polarizability 45.85
Ring Count 4
Rotatable Bond Count 6

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