N-[2-chloro-5-(diethylcarbamoyl)phenyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide

• ChemBase ID: 863195
• Molecular Formular: C18H22ClN3O3
• Molecular Mass: 363.83858
• Monoisotopic Mass: 363.13496926
• SMILES: c1(C(=O)Nc2cc(C(=O)N(CC)CC)ccc2Cl)c(nc(o1)CC)C
• Canonical SMILES: CCc1oc(c(n1)C)C(=O)Nc1cc(ccc1Cl)C(=O)N(CC)CC
• InChI: InChI=1S/C18H22ClN3O3/c1-5-15-20-11(4)16(25-15)17(23)21-14-10-12(8-9-13(14)19)18(24)22(6-2)7-3/h8-10H,5-7H2,1-4H3,(H,21,23)
• InChIKey: YRQPEUDROYQBGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-chloro-5-(diethylcarbamoyl)phenyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
• IUPAC Traditional name: N-[2-chloro-5-(diethylcarbamoyl)phenyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
• Synonyms: N-{2-chloro-5-[(diethylamino)carbonyl]phenyl}-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.837902
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.4976275
• LogD (pH = 7.4): 2.4961443
• Log P: 2.4976468
• Molar Refractivity: 99.0113 cm^3
• Polarizability: 36.44102 Å^3
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.4
• LOG S: -3.05
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 6