Synonyms
2-[(4S)-4,5-Dihydro-4-(1-methylethyl)- 2-oxazolyl]-Quinoline; (S)-4-Isopropyl-2-(quinolin-2-yl)-4,5-dihydrooxazole
IUPAC Name
(4S)-4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole
Molecular Weight
240.30
Molecular Formula
C15H16N2O
Canonical SMILES
CC(C)C1COC(=N1)C2=NC3=CC=CC=C3C=C2
InChI
CCXYFOHSQUOJAN-CQSZACIVSA-N
InChI Key
InChI=1S/C15H16N2O/c1-10(2)14-9-18-15(17-14)13-8-7-11-5-3-4-6-12(11)16-13/h3-8,10,14H,9H2,1-2H3/t14-/m1/s1
Boiling Point
395.0±15.0 °C(Predicted)
Melting Point
75-80 °C
Purity
96%
Complexity
327
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
1
Exact Mass
240.126263138
H-Bond Acceptor
3
H-Bond Donor
0
Heavy Atom Count
18
Isomeric SMILES
CC(C)[C@H]1COC(=N1)C2=NC3=CC=CC=C3C=C2
Monoisotopic Mass
240.126263138
Rotatable Bond Count
2
Topological Polar Surface Area
34.5 Ų
