4-chloro-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidine

• ChemBase ID: 309528
• Molecular Formular: C7H6ClN3O
• Molecular Mass: 183.59504
• Monoisotopic Mass: 183.01993951
• SMILES: c12c(c(nc(n1)C)Cl)c(no2)C
• Canonical SMILES: Cc1nc(Cl)c2c(n1)onc2C
• InChI: InChI=1S/C7H6ClN3O/c1-3-5-6(8)9-4(2)10-7(5)12-11-3/h1-2H3
• InChIKey: CUFAYYSEUAURDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidine
• IUPAC Traditional name: 4-chloro-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidine
• Synonyms: 4-chloro-3,6-dimethylisoxazolo[5,4-d]pyrimidine

Database IDs

• MDL Number: MFCD16992238

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5254425
• LogD (pH = 7.4): 1.5254434
• Log P: 1.5254434
• Molar Refractivity: 45.5266 cm^3
• Polarizability: 16.94805 Å^3
• Polar Surface Area: 51.81 Å^2