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

• ChemBase ID: 714981
• Molecular Formular: C20H24N2O4
• Molecular Mass: 356.41556
• Monoisotopic Mass: 356.17360726
• SMILES: c1(C(=O)N2C(C=CC2)CCC)nc(oc1)COc1c(cc(cc1)C)OC
• Canonical SMILES: CCCC1C=CCN1C(=O)c1coc(n1)COc1ccc(cc1OC)C
• InChI: InChI=1S/C20H24N2O4/c1-4-6-15-7-5-10-22(15)20(23)16-12-26-19(21-16)13-25-17-9-8-14(2)11-18(17)24-3/h5,7-9,11-12,15H,4,6,10,13H2,1-3H3
• InChIKey: RSKZDIOQDAVUDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxy-4-methylphenoxymethyl)-4-(2-propyl-2,5-dihydro-1H-pyrrole-1-carbonyl)-1,3-oxazole
• IUPAC Traditional name: 2-(2-methoxy-4-methylphenoxymethyl)-4-(2-propyl-2,5-dihydropyrrole-1-carbonyl)-1,3-oxazole
• Synonyms: 2-[(2-methoxy-4-methylphenoxy)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): 3.3340552
• LogD (pH = 7.4): 3.3340552
• Log P: 3.3340552
• Molar Refractivity: 99.0678 cm^3
• Polarizability: 37.479824 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: 1.73
• LOG S: -3.28
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 7