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2-[(4S)-4-isopropyl-4,5-dihydro-1,3-oxazol-2-yl]-5-(trifluoromethyl)pyridine

2-[(4S)-4-isopropyl-4,5-dihydro-1,3-oxazol-2-yl]-5-(trifluoromethyl)pyridine

CAS: 1803416-30-9

Formula: C12H13F3N2O

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

IUPAC: 2-[(4S)-4-(propan-2-yl)-4,5-dihydro-1,3-oxazol-2-yl]-5-(trifluoromethyl)pyridine

InChI: InChI=1S/C12H13F3N2O/c1-7(2)10-6-18-11(17-10)9-4-3-8(5-16-9)12(13,14)15/h3-5,7,10H,6H2,1-2H3/t10-/m1/s1

Composition: C (55.81%), H (5.07%), F (22.07%), N (10.85%), O (6.20%)

Molar Mass: 258.244

Atom Count: 31

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 258.097997536
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey ILENSZIBAAQNCZ-SNVBAGLBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.2
Topological Polar Surface Area 34.48
Polarizability 22.33
Ring Count 2
Rotatable Bond Count 3

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