propyl 5-[5-(2-hydroxy-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]furan-2-carboxylate

• ChemBase ID: 182239
• Molecular Formular: C19H19NO6
• Molecular Mass: 357.35726
• Monoisotopic Mass: 357.12123733
• SMILES: c1(c(c2oc(cc2)C(=O)OCCC)c(no1)C)c1c(cc(cc1)OC)O
• Canonical SMILES: CCCOC(=O)c1ccc(o1)c1c(C)noc1c1ccc(cc1O)OC
• InChI: InChI=1S/C19H19NO6/c1-4-9-24-19(22)16-8-7-15(25-16)17-11(2)20-26-18(17)13-6-5-12(23-3)10-14(13)21/h5-8,10,21H,4,9H2,1-3H3
• InChIKey: WJNRDVAYSMVLKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propyl 5-[5-(2-hydroxy-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]furan-2-carboxylate
• IUPAC Traditional name: propyl 5-[5-(2-hydroxy-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]furan-2-carboxylate

Database IDs

• PubChem SID: 164238149
• PubChem CID: 16236625

CALCULATED PROPERTIES

• Acid pKa: 8.093733
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.084329
• LogD (pH = 7.4): 3.006044
• Log P: 3.0854318
• Molar Refractivity: 94.2518 cm^3
• Polarizability: 38.09996 Å^3
• Polar Surface Area: 94.93 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds