4H,5H-[1,2]oxazolo[4,3-c]quinolin-3-amine

• ChemBase ID: 277681
• Molecular Formular: C10H9N3O
• Molecular Mass: 187.19796
• Monoisotopic Mass: 187.07456192
• SMILES: c12c(noc1N)c1c(NC2)cccc1
• Canonical SMILES: Nc1onc2c1CNc1c2cccc1
• InChI: InChI=1S/C10H9N3O/c11-10-7-5-12-8-4-2-1-3-6(8)9(7)13-14-10/h1-4,12H,5,11H2
• InChIKey: KUAHQSQRMYDVGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4H,5H-[1,2]oxazolo[4,3-c]quinolin-3-amine
• IUPAC Traditional name: 4H,5H-[1,2]oxazolo[4,3-c]quinolin-3-amine
• Synonyms: 4H,5H-[1,2]oxazolo[4,3-c]quinolin-3-amine

Database IDs

• MDL Number: MFCD19686492
• PubChem SID: 164333591
• PubChem CID: 54594707

CALCULATED PROPERTIES

• Acid pKa: 15.2237625
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.85496336
• LogD (pH = 7.4): 0.8552339
• Log P: 0.85523736
• Molar Refractivity: 54.9663 cm^3
• Polarizability: 20.643286 Å^3
• Polar Surface Area: 64.08 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.011

Product Information

• Purity: 95%