N-methyl-2-(morpholin-4-yl)-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide

• ChemBase ID: 477012
• Molecular Formular: C17H21N3O3
• Molecular Mass: 315.36694
• Monoisotopic Mass: 315.15829155
• SMILES: C(=O)(c1c(N2CCOCC2)cccc1)N(C(c1nocc1)C)C
• Canonical SMILES: CN(C(=O)c1ccccc1N1CCOCC1)C(c1nocc1)C
• InChI: InChI=1S/C17H21N3O3/c1-13(15-7-10-23-18-15)19(2)17(21)14-5-3-4-6-16(14)20-8-11-22-12-9-20/h3-7,10,13H,8-9,11-12H2,1-2H3
• InChIKey: DNIQSNXQDCFOGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(morpholin-4-yl)-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
• IUPAC Traditional name: N-methyl-2-(morpholin-4-yl)-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
• Synonyms: N-(1-isoxazol-3-ylethyl)-N-methyl-2-morpholin-4-ylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.900036
• LogD (pH = 7.4): 1.9000363
• Log P: 1.9000363
• Molar Refractivity: 88.4592 cm^3
• Polarizability: 32.75424 Å^3
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.63
• LOG S: -2.27
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 4