[(2,3-difluoro-6-methoxyphenyl)methyl](methyl)[(3-methyl-1,2-oxazol-5-yl)methyl]amine

• ChemBase ID: 320497
• Molecular Formular: C14H16F2N2O2
• Molecular Mass: 282.2858464
• Monoisotopic Mass: 282.1179842
• SMILES: c1(c(c(ccc1OC)F)F)CN(Cc1onc(c1)C)C
• Canonical SMILES: COc1ccc(c(c1CN(Cc1onc(c1)C)C)F)F
• InChI: InChI=1S/C14H16F2N2O2/c1-9-6-10(20-17-9)7-18(2)8-11-13(19-3)5-4-12(15)14(11)16/h4-6H,7-8H2,1-3H3
• InChIKey: ZPUVGNYDRJNEOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,3-difluoro-6-methoxyphenyl)methyl](methyl)[(3-methyl-1,2-oxazol-5-yl)methyl]amine
• IUPAC Traditional name: [(2,3-difluoro-6-methoxyphenyl)methyl](methyl)[(3-methyl-1,2-oxazol-5-yl)methyl]amine
• Synonyms: (2,3-difluoro-6-methoxybenzyl)methyl[(3-methylisoxazol-5-yl)methyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7325826
• LogD (pH = 7.4): 2.1729233
• Log P: 2.182765
• Molar Refractivity: 72.0203 cm^3
• Polarizability: 26.657232 Å^3
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.22
• LOG S: -2.15
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 5