3-(4-methoxyphenyl)-2-methyl-9-(5-methyl-1,2-oxazol-3-yl)-4H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-4-one

• ChemBase ID: 219675
• Molecular Formular: C23H20N2O5
• Molecular Mass: 404.4153
• Monoisotopic Mass: 404.13722175
• SMILES: c12c3CN(c4noc(c4)C)COc3ccc1c(=O)c(c(o2)C)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1c(C)oc2c(c1=O)ccc1c2CN(CO1)c1noc(c1)C
• InChI: InChI=1S/C23H20N2O5/c1-13-10-20(24-30-13)25-11-18-19(28-12-25)9-8-17-22(26)21(14(2)29-23(17)18)15-4-6-16(27-3)7-5-15/h4-10H,11-12H2,1-3H3
• InChIKey: IBFIUURGAXRLLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methoxyphenyl)-2-methyl-9-(5-methyl-1,2-oxazol-3-yl)-4H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-4-one
• IUPAC Traditional name: 3-(4-methoxyphenyl)-2-methyl-9-(5-methyl-1,2-oxazol-3-yl)-8H,10H-chromeno[8,7-e][1,3]oxazin-4-one

Database IDs

• PubChem SID: 164275585
• PubChem CID: 16409566

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.1538405
• LogD (pH = 7.4): 4.1539545
• Log P: 4.153956
• Molar Refractivity: 113.2726 cm^3
• Polarizability: 41.743332 Å^3
• Polar Surface Area: 74.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds