N-methyl-5-phenyl-N-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}-1,2-oxazole-3-carboxamide

• ChemBase ID: 680235
• Molecular Formular: C19H15N5O3
• Molecular Mass: 361.3541
• Monoisotopic Mass: 361.11748937
• SMILES: c1(noc(c1)c1ccccc1)C(=O)N(Cc1nc(no1)c1cnccc1)C
• Canonical SMILES: CN(C(=O)c1noc(c1)c1ccccc1)Cc1onc(n1)c1cccnc1
• InChI: InChI=1S/C19H15N5O3/c1-24(12-17-21-18(23-27-17)14-8-5-9-20-11-14)19(25)15-10-16(26-22-15)13-6-3-2-4-7-13/h2-11H,12H2,1H3
• InChIKey: MFLOGOMYEOCQNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-5-phenyl-N-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-methyl-5-phenyl-N-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}-1,2-oxazole-3-carboxamide
• Synonyms: N-methyl-5-phenyl-N-{[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}-3-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.4334083
• LogD (pH = 7.4): 2.4391108
• Log P: 2.4391842
• Molar Refractivity: 108.8234 cm^3
• Polarizability: 37.883026 Å^3
• Polar Surface Area: 98.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.33
• LOG S: -2.97
• Polar Surface Area: 98.15 Å^2
• Rotatable Bonds: 5