2-methoxy-N-methyl-5-[({[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl}carbamoyl)amino]benzamide

• ChemBase ID: 599762
• Molecular Formular: C18H24N4O4
• Molecular Mass: 360.40756
• Monoisotopic Mass: 360.17975527
• SMILES: c1(C(=O)NC)c(ccc(NC(=O)NCc2noc(c2)CC(C)C)c1)OC
• Canonical SMILES: CNC(=O)c1cc(ccc1OC)NC(=O)NCc1noc(c1)CC(C)C
• InChI: InChI=1S/C18H24N4O4/c1-11(2)7-14-8-13(22-26-14)10-20-18(24)21-12-5-6-16(25-4)15(9-12)17(23)19-3/h5-6,8-9,11H,7,10H2,1-4H3,(H,19,23)(H2,20,21,24)
• InChIKey: HPLJGRGMQMAWBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-methyl-5-[({[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl}carbamoyl)amino]benzamide
• IUPAC Traditional name: 2-methoxy-N-methyl-5-[({[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl}carbamoyl)amino]benzamide
• Synonyms: 5-[({[(5-isobutylisoxazol-3-yl)methyl]amino}carbonyl)amino]-2-methoxy-N-methylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.443953
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.6418926
• LogD (pH = 7.4): 1.6418933
• Log P: 1.6418937
• Molar Refractivity: 99.2884 cm^3
• Polarizability: 36.462444 Å^3
• Polar Surface Area: 105.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: 1.15
• LOG S: -2.81
• Polar Surface Area: 105.49 Å^2
• Rotatable Bonds: 7