N,5-dimethyl-N-{[3-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-oxazole-4-carboxamide

• ChemBase ID: 663315
• Molecular Formular: C16H16N4O2
• Molecular Mass: 296.32384
• Monoisotopic Mass: 296.12732577
• SMILES: c1(C(=O)N(Cc2cc(n3nccc3)ccc2)C)ncoc1C
• Canonical SMILES: CN(C(=O)c1ncoc1C)Cc1cccc(c1)n1cccn1
• InChI: InChI=1S/C16H16N4O2/c1-12-15(17-11-22-12)16(21)19(2)10-13-5-3-6-14(9-13)20-8-4-7-18-20/h3-9,11H,10H2,1-2H3
• InChIKey: FUMQBMSEYMGPOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,5-dimethyl-N-{[3-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: N,5-dimethyl-N-{[3-(pyrazol-1-yl)phenyl]methyl}-1,3-oxazole-4-carboxamide
• Synonyms: N,5-dimethyl-N-[3-(1H-pyrazol-1-yl)benzyl]-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6087757
• LogD (pH = 7.4): 1.6088321
• Log P: 1.608833
• Molar Refractivity: 83.3912 cm^3
• Polarizability: 31.269444 Å^3
• Polar Surface Area: 64.16 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: 0.47
• LOG S: -1.76
• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 4