2-ethyl-N-(2-methoxyethyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-5-carboxamide

• ChemBase ID: 479901
• Molecular Formular: C16H21N3O3
• Molecular Mass: 303.35624
• Monoisotopic Mass: 303.15829155
• SMILES: c1(C(=O)N(Cc2cnccc2)CCOC)c(nc(o1)CC)C
• Canonical SMILES: COCCN(C(=O)c1oc(nc1C)CC)Cc1cccnc1
• InChI: InChI=1S/C16H21N3O3/c1-4-14-18-12(2)15(22-14)16(20)19(8-9-21-3)11-13-6-5-7-17-10-13/h5-7,10H,4,8-9,11H2,1-3H3
• InChIKey: PHNGZQIALPPCRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-N-(2-methoxyethyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-5-carboxamide
• IUPAC Traditional name: 2-ethyl-N-(2-methoxyethyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-5-carboxamide
• Synonyms: 2-ethyl-N-(2-methoxyethyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.4756648
• LogD (pH = 7.4): 0.5469172
• Log P: 0.54792666
• Molar Refractivity: 82.675 cm^3
• Polarizability: 31.30456 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.68
• LOG S: -0.84
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 7