{[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}[1-(4-methoxyphenyl)ethyl]methylamine

• ChemBase ID: 456970
• Molecular Formular: C23H28N2O3
• Molecular Mass: 380.48002
• Monoisotopic Mass: 380.20999277
• SMILES: n1c(c(oc1c1cc(c(cc1)OC)C)C)CN(C(c1ccc(cc1)OC)C)C
• Canonical SMILES: COc1ccc(cc1)C(N(Cc1nc(oc1C)c1ccc(c(c1)C)OC)C)C
• InChI: InChI=1S/C23H28N2O3/c1-15-13-19(9-12-22(15)27-6)23-24-21(17(3)28-23)14-25(4)16(2)18-7-10-20(26-5)11-8-18/h7-13,16H,14H2,1-6H3
• InChIKey: SLOXJPVEQWLWOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}[1-(4-methoxyphenyl)ethyl]methylamine
• IUPAC Traditional name: {[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}[1-(4-methoxyphenyl)ethyl]methylamine
• Synonyms: N-{[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1-(4-methoxyphenyl)-N-methylethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4707408
• LogD (pH = 7.4): 4.124075
• Log P: 4.5014644
• Molar Refractivity: 122.0382 cm^3
• Polarizability: 43.637573 Å^3
• Polar Surface Area: 47.73 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: 4.49
• LOG S: -4.14
• Polar Surface Area: 47.73 Å^2
• Rotatable Bonds: 5