(S)-2-(4,5-Dihydro-4-isopropyl-2-oxazolyl)quinoline

• Catalog Number: ACM226387117-1
• Product Name: (S)-2-(4,5-Dihydro-4-isopropyl-2-oxazolyl)quinoline
• CAS: 226387-11-7
• Category: Heterocyclic Organic Compound
• 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
• 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
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 0
• 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