2-[(4S)-4-(1,1-diMethylethyl)-4,5-dihydro-2-oxazolyl]-Pyridine

Catalog Number	ACM117408987-1
CAS	117408-98-7
Structure
Synonyms	(S)-4-Tert-Butyl-2-(2-pyridyl)oxazoline; Pyridine, 2-[(4S)-4-(1,1-dimethylethyl)-4,5-dihydro-2-oxazolyl]-
IUPAC Name	(4S)-4-tert-butyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
Molecular Weight	204.27
Molecular Formula	C12H16N2O
Canonical SMILES	CC(C)(C)C1COC(=N1)C2=CC=CC=N2
InChI	JDOAIDZRVWJBEG-SNVBAGLBSA-N
InChI Key	InChI=1S/C12H16N2O/c1-12(2,3)10-8-15-11(14-10)9-6-4-5-7-13-9/h4-7,10H,8H2,1-3H3/t10-/m1/s1
Boiling Point	125-135 °C(Press: 0.1 Torr)
Melting Point	70-74 °C
Exact Mass	204.126263138
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isomeric SMILES	CC(C)(C)[C@H]1COC(=N1)C2=CC=CC=N2
Monoisotopic Mass	204.126263138
Rotatable Bond Count	2
Topological Polar Surface Area	34.5 Ų