2-(dimethyl-1,2-oxazol-4-yl)-3-methylquinoxaline

• ChemBase ID: 860952
• Molecular Formular: C14H13N3O
• Molecular Mass: 239.27252
• Monoisotopic Mass: 239.10586205
• SMILES: c1(c2nc3c(nc2C)cccc3)c(onc1C)C
• Canonical SMILES: Cc1nc2ccccc2nc1c1c(C)noc1C
• InChI: InChI=1S/C14H13N3O/c1-8-13(10(3)18-17-8)14-9(2)15-11-6-4-5-7-12(11)16-14/h4-7H,1-3H3
• InChIKey: MWVMQOJNRPDUJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethyl-1,2-oxazol-4-yl)-3-methylquinoxaline
• IUPAC Traditional name: 2-(dimethyl-1,2-oxazol-4-yl)-3-methylquinoxaline
• Synonyms: 2-(3,5-dimethyl-4-isoxazolyl)-3-methylquinoxaline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.158882
• LogD (pH = 7.4): 2.1589997
• Log P: 2.159001
• Molar Refractivity: 67.9893 cm^3
• Polarizability: 28.333124 Å^3
• Polar Surface Area: 51.81 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.67
• LOG S: -2.37
• Polar Surface Area: 51.81 Å^2
• Rotatable Bonds: 1