N-cyclopropyl-5-methyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide

• ChemBase ID: 842811
• Molecular Formular: C18H18N4O2
• Molecular Mass: 322.36112
• Monoisotopic Mass: 322.14297584
• SMILES: c1(C(=O)N(C2CC2)Cc2cn(nc2)c2ccccc2)noc(c1)C
• Canonical SMILES: Cc1onc(c1)C(=O)N(C1CC1)Cc1cnn(c1)c1ccccc1
• InChI: InChI=1S/C18H18N4O2/c1-13-9-17(20-24-13)18(23)21(15-7-8-15)11-14-10-19-22(12-14)16-5-3-2-4-6-16/h2-6,9-10,12,15H,7-8,11H2,1H3
• InChIKey: NXOWCRPSNLXQTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-5-methyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
• Synonyms: N-cyclopropyl-5-methyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]isoxazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.49702
• LogD (pH = 7.4): 2.497051
• Log P: 2.4970515
• Molar Refractivity: 91.335 cm^3
• Polarizability: 34.225986 Å^3
• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.8
• LOG S: -2.23
• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 5