2-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(2-methyl-1-benzofuran-5-carbonyl)morpholine

• ChemBase ID: 354025
• Molecular Formular: C19H21N3O5
• Molecular Mass: 371.38714
• Monoisotopic Mass: 371.14812079
• SMILES: n1c(onc1COC)CC1CN(C(=O)c2cc3cc(oc3cc2)C)CCO1
• Canonical SMILES: COCc1noc(n1)CC1OCCN(C1)C(=O)c1ccc2c(c1)cc(o2)C
• InChI: InChI=1S/C19H21N3O5/c1-12-7-14-8-13(3-4-16(14)26-12)19(23)22-5-6-25-15(10-22)9-18-20-17(11-24-2)21-27-18/h3-4,7-8,15H,5-6,9-11H2,1-2H3
• InChIKey: AZVKHFZGUOVZEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(2-methyl-1-benzofuran-5-carbonyl)morpholine
• IUPAC Traditional name: 2-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(2-methyl-1-benzofuran-5-carbonyl)morpholine
• Synonyms: 2-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-[(2-methyl-1-benzofuran-5-yl)carbonyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.6078299
• LogD (pH = 7.4): 1.60783
• Log P: 1.60783
• Molar Refractivity: 97.9982 cm^3
• Polarizability: 37.597927 Å^3
• Polar Surface Area: 90.83 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.39
• LOG S: -2.24
• Polar Surface Area: 90.83 Å^2
• Rotatable Bonds: 5