5-(2,6-difluorophenoxymethyl)-N-methyl-N-[3-(morpholin-4-yl)propyl]-1,2-oxazole-3-carboxamide

• ChemBase ID: 838991
• Molecular Formular: C19H23F2N3O4
• Molecular Mass: 395.4004264
• Monoisotopic Mass: 395.16566267
• SMILES: c1(noc(c1)COc1c(F)cccc1F)C(=O)N(CCCN1CCOCC1)C
• Canonical SMILES: CN(C(=O)c1noc(c1)COc1c(F)cccc1F)CCCN1CCOCC1
• InChI: InChI=1S/C19H23F2N3O4/c1-23(6-3-7-24-8-10-26-11-9-24)19(25)17-12-14(28-22-17)13-27-18-15(20)4-2-5-16(18)21/h2,4-5,12H,3,6-11,13H2,1H3
• InChIKey: YSZXCGPBGFNLBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2,6-difluorophenoxymethyl)-N-methyl-N-[3-(morpholin-4-yl)propyl]-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: 5-(2,6-difluorophenoxymethyl)-N-methyl-N-[3-(morpholin-4-yl)propyl]-1,2-oxazole-3-carboxamide
• Synonyms: 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[3-(4-morpholinyl)propyl]-3-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.29138446
• LogD (pH = 7.4): 1.5469258
• Log P: 1.6539446
• Molar Refractivity: 99.3449 cm^3
• Polarizability: 37.005573 Å^3
• Polar Surface Area: 68.04 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.62
• LOG S: -1.98
• Polar Surface Area: 68.04 Å^2
• Rotatable Bonds: 8