6-methoxy-3-(3-methoxyphenoxymethyl)-1,2-benzoxazole

• ChemBase ID: 221522
• Molecular Formular: C16H15NO4
• Molecular Mass: 285.2946
• Monoisotopic Mass: 285.10010797
• SMILES: n1c(c2c(o1)cc(cc2)OC)COc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)OCc1noc2c1ccc(c2)OC
• InChI: InChI=1S/C16H15NO4/c1-18-11-4-3-5-13(8-11)20-10-15-14-7-6-12(19-2)9-16(14)21-17-15/h3-9H,10H2,1-2H3
• InChIKey: ULMWPPFVBYWUKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-3-(3-methoxyphenoxymethyl)-1,2-benzoxazole
• IUPAC Traditional name: 6-methoxy-3-(3-methoxyphenoxymethyl)-1,2-benzoxazole

Database IDs

• PubChem SID: 164277432
• PubChem CID: 42225043

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6896002
• LogD (pH = 7.4): 2.6896002
• Log P: 2.6896002
• Molar Refractivity: 77.3077 cm^3
• Polarizability: 30.97218 Å^3
• Polar Surface Area: 53.72 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds