methyl 2-(1-{2-[(2-fluorophenyl)methyl]-1,3-benzoxazol-6-yl}-N-methylformamido)acetate

• ChemBase ID: 527207
• Molecular Formular: C19H17FN2O4
• Molecular Mass: 356.3476832
• Monoisotopic Mass: 356.11723525
• SMILES: n1c(oc2c1ccc(C(=O)N(CC(=O)OC)C)c2)Cc1c(F)cccc1
• Canonical SMILES: COC(=O)CN(C(=O)c1ccc2c(c1)oc(n2)Cc1ccccc1F)C
• InChI: InChI=1S/C19H17FN2O4/c1-22(11-18(23)25-2)19(24)13-7-8-15-16(9-13)26-17(21-15)10-12-5-3-4-6-14(12)20/h3-9H,10-11H2,1-2H3
• InChIKey: RXCUBDDAFJNLHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(1-{2-[(2-fluorophenyl)methyl]-1,3-benzoxazol-6-yl}-N-methylformamido)acetate
• IUPAC Traditional name: methyl 2-(1-{2-[(2-fluorophenyl)methyl]-1,3-benzoxazol-6-yl}-N-methylformamido)acetate
• Synonyms: methyl N-{[2-(2-fluorobenzyl)-1,3-benzoxazol-6-yl]carbonyl}-N-methylglycinate

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3418396
• LogD (pH = 7.4): 2.3418417
• Log P: 2.3418417
• Molar Refractivity: 91.8276 cm^3
• Polarizability: 35.83892 Å^3
• Polar Surface Area: 72.64 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: 2.48
• LOG S: -3.79
• Polar Surface Area: 72.64 Å^2
• Rotatable Bonds: 5