methyl 4-(5-methyl-4-{[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl}-1,3-oxazol-2-yl)benzoate

• ChemBase ID: 423359
• Molecular Formular: C24H26N2O3
• Molecular Mass: 390.47484
• Monoisotopic Mass: 390.1943427
• SMILES: n1c(c(oc1c1ccc(C(=O)OC)cc1)C)CN(C1c2c(CCC1)cccc2)C
• Canonical SMILES: COC(=O)c1ccc(cc1)c1nc(c(o1)C)CN(C1CCCc2c1cccc2)C
• InChI: InChI=1S/C24H26N2O3/c1-16-21(15-26(2)22-10-6-8-17-7-4-5-9-20(17)22)25-23(29-16)18-11-13-19(14-12-18)24(27)28-3/h4-5,7,9,11-14,22H,6,8,10,15H2,1-3H3
• InChIKey: RJKVNQCZXKCVMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 4-(5-methyl-4-{[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl}-1,3-oxazol-2-yl)benzoate
• IUPAC Traditional name: methyl 4-(5-methyl-4-{[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl}-1,3-oxazol-2-yl)benzoate
• Synonyms: methyl 4-(5-methyl-4-{[methyl(1,2,3,4-tetrahydro-1-naphthalenyl)amino]methyl}-1,3-oxazol-2-yl)benzoate

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4378445
• LogD (pH = 7.4): 4.198804
• Log P: 4.8790803
• Molar Refractivity: 123.8589 cm^3
• Polarizability: 44.133152 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.71
• LOG S: -4.89
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 5