2-(4-methoxyphenoxymethyl)-4-(2-propyl-2,5-dihydro-1H-pyrrole-1-carbonyl)-1,3-oxazole

• ChemBase ID: 406161
• Molecular Formular: C19H22N2O4
• Molecular Mass: 342.38898
• Monoisotopic Mass: 342.15795719
• SMILES: c1(C(=O)N2C(C=CC2)CCC)nc(oc1)COc1ccc(cc1)OC
• Canonical SMILES: CCCC1C=CCN1C(=O)c1coc(n1)COc1ccc(cc1)OC
• InChI: InChI=1S/C19H22N2O4/c1-3-5-14-6-4-11-21(14)19(22)17-12-25-18(20-17)13-24-16-9-7-15(23-2)8-10-16/h4,6-10,12,14H,3,5,11,13H2,1-2H3
• InChIKey: NEMGGZBZYICVAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenoxymethyl)-4-(2-propyl-2,5-dihydro-1H-pyrrole-1-carbonyl)-1,3-oxazole
• IUPAC Traditional name: 2-(4-methoxyphenoxymethyl)-4-(2-propyl-2,5-dihydropyrrole-1-carbonyl)-1,3-oxazole
• Synonyms: 2-[(4-methoxyphenoxy)methyl]-4-[(2-propyl-2,5-dihydro-1H-pyrrol-1-yl)carbonyl]-1,3-oxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.820634
• LogD (pH = 7.4): 2.820634
• Log P: 2.820634
• Molar Refractivity: 94.0266 cm^3
• Polarizability: 35.717033 Å^3
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.41
• LOG S: -2.9
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 7