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

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

CAS: 2757083-97-7

Formula: C17H13NOS

SMILES: C1OC(=N[C@H]1C1=CC=CC=C1)C1=CC2=CC=CC=C2S1

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

InChI: InChI=1S/C17H13NOS/c1-2-6-12(7-3-1)14-11-19-17(18-14)16-10-13-8-4-5-9-15(13)20-16/h1-10,14H,11H2/t14-/m1/s1

Composition: C (73.09%), H (4.69%), N (5.01%), O (5.73%), S (11.48%)

Molar Mass: 279.36

Atom Count: 33

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 279.071785217
Formal Charge 0
FSP3 0.12
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey ILOPWMKOXZPEAX-CQSZACIVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.74
Topological Polar Surface Area 21.59
Polarizability 32.33
Ring Count 4
Rotatable Bond Count 2

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