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(4S)-2-(1-benzothiophen-2-yl)-4-benzyl-4,5-dihydro-1,3-oxazole

(4S)-2-(1-benzothiophen-2-yl)-4-benzyl-4,5-dihydro-1,3-oxazole

CAS: 2170033-85-7

Formula: C18H15NOS

SMILES: C([C@H]1COC(=N1)C1=CC2=CC=CC=C2S1)C1=CC=CC=C1

IUPAC: (4S)-2-(1-benzothiophen-2-yl)-4-benzyl-4,5-dihydro-1,3-oxazole

InChI: InChI=1S/C18H15NOS/c1-2-6-13(7-3-1)10-15-12-20-18(19-15)17-11-14-8-4-5-9-16(14)21-17/h1-9,11,15H,10,12H2/t15-/m0/s1

Composition: C (73.69%), H (5.15%), N (4.77%), O (5.45%), S (10.93%)

Molar Mass: 293.38

Atom Count: 36

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 293.087435281
Formal Charge 0
FSP3 0.17
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey QBUPEBCAADHHLJ-HNNXBMFYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 85.5
Topological Polar Surface Area 21.59
Polarizability 34.1
Ring Count 4
Rotatable Bond Count 3

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