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

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

CAS: 1416819-91-4

Formula: C13H15F3N2O

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

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

InChI: InChI=1S/C13H15F3N2O/c1-12(2,3)10-7-19-11(18-10)9-5-4-8(6-17-9)13(14,15)16/h4-6,10H,7H2,1-3H3/t10-/m1/s1

Composition: C (57.35%), H (5.55%), F (20.93%), N (10.29%), O (5.88%)

Molar Mass: 272.271

Atom Count: 34

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	272.1136476
Formal Charge	0
FSP3	0.54
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	AATATIAROAAKIN-SNVBAGLBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.59
Topological Polar Surface Area	34.48
Polarizability	24.13
Ring Count	2
Rotatable Bond Count	3

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