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

• ChemBase ID: 275054
• Molecular Formular: C10H7N3O
• Molecular Mass: 185.18208
• Monoisotopic Mass: 185.05891186
• SMILES: c12c(noc1N)c1c(nc2)cccc1
• Canonical SMILES: Nc1onc2c1cnc1c2cccc1
• InChI: InChI=1S/C10H7N3O/c11-10-7-5-12-8-4-2-1-3-6(8)9(7)13-14-10/h1-5H,11H2
• InChIKey: PXSAUQMYWOPFPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18839078
• PubChem SID: 164330964
• PubChem CID: 54593501

CALCULATED PROPERTIES

• Acid pKa: 15.109867
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1311097
• LogD (pH = 7.4): 1.1311376
• Log P: 1.131138
• Molar Refractivity: 51.4532 cm^3
• Polarizability: 21.623106 Å^3
• Polar Surface Area: 64.94 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.815

Product Information

• Purity: 95%