9-(furan-2-ylmethyl)-4-propyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

• ChemBase ID: 200837
• Molecular Formular: C19H19NO4
• Molecular Mass: 325.35846
• Monoisotopic Mass: 325.13140809
• SMILES: c12c3c(OCN(C3)Cc3occc3)ccc1c(cc(=O)o2)CCC
• Canonical SMILES: CCCc1cc(=O)oc2c1ccc1c2CN(CO1)Cc1ccco1
• InChI: InChI=1S/C19H19NO4/c1-2-4-13-9-18(21)24-19-15(13)6-7-17-16(19)11-20(12-23-17)10-14-5-3-8-22-14/h3,5-9H,2,4,10-12H2,1H3
• InChIKey: MSUHVCATVJDEDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(furan-2-ylmethyl)-4-propyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one
• IUPAC Traditional name: 9-(furan-2-ylmethyl)-4-propyl-8H,10H-chromeno[8,7-e][1,3]oxazin-2-one

Database IDs

• PubChem SID: 164256747
• PubChem CID: 908636

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.459381
• LogD (pH = 7.4): 3.4786613
• Log P: 3.4789128
• Molar Refractivity: 89.8825 cm^3
• Polarizability: 34.67429 Å^3
• Polar Surface Area: 51.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds