3-(3-methoxyphenyl)-5-(3-methylfuran-2-carbonyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine

• ChemBase ID: 585554
• Molecular Formular: C19H18N2O4
• Molecular Mass: 338.35722
• Monoisotopic Mass: 338.12665707
• SMILES: c12c(noc2CCN(C(=O)c2c(cco2)C)C1)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)c1noc2c1CN(CC2)C(=O)c1occc1C
• InChI: InChI=1S/C19H18N2O4/c1-12-7-9-24-18(12)19(22)21-8-6-16-15(11-21)17(20-25-16)13-4-3-5-14(10-13)23-2/h3-5,7,9-10H,6,8,11H2,1-2H3
• InChIKey: BHSHQDMMASDXAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-methoxyphenyl)-5-(3-methylfuran-2-carbonyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine
• IUPAC Traditional name: 3-(3-methoxyphenyl)-5-(3-methylfuran-2-carbonyl)-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridine
• Synonyms: 3-(3-methoxyphenyl)-5-(3-methyl-2-furoyl)-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.540517
• LogD (pH = 7.4): 2.5405173
• Log P: 2.5405173
• Molar Refractivity: 92.9414 cm^3
• Polarizability: 35.63968 Å^3
• Polar Surface Area: 68.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.63
• LOG S: -3.57
• Polar Surface Area: 68.71 Å^2
• Rotatable Bonds: 2