7,8-dimethoxy-2H,3H,5H-[1,3]oxazolo[2,3-b]quinazolin-5-one

• ChemBase ID: 120130
• Molecular Formular: C12H12N2O4
• Molecular Mass: 248.23468
• Monoisotopic Mass: 248.07970687
• SMILES: n12c(nc3c(c1=O)cc(c(c3)OC)OC)OCC2
• Canonical SMILES: COc1cc2c(cc1OC)nc1n(c2=O)CCO1
• InChI: InChI=1S/C12H12N2O4/c1-16-9-5-7-8(6-10(9)17-2)13-12-14(11(7)15)3-4-18-12/h5-6H,3-4H2,1-2H3
• InChIKey: MBPHXRDROJZTOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,8-dimethoxy-2H,3H,5H-[1,3]oxazolo[2,3-b]quinazolin-5-one
• IUPAC Traditional name: 7,8-dimethoxy-2H,3H-[1,3]oxazolo[2,3-b]quinazolin-5-one
• Synonyms: 7,8-dimethoxy-2H-oxazolo[2,3-b]quinazolin-5(3H)-one

Database IDs

• PubChem SID: 162214483
• PubChem CID: 51044449

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.0964527
• LogD (pH = 7.4): 1.0964733
• Log P: 1.0964736
• Molar Refractivity: 65.1365 cm^3
• Polarizability: 23.75297 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds