N-{1-[1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl}acetamide

• ChemBase ID: 317661
• Molecular Formular: C20H21N5O3
• Molecular Mass: 379.41244
• Monoisotopic Mass: 379.16443956
• SMILES: c1(cc(no1)c1ccccc1)C(=O)N1CCC(n2c(NC(=O)C)ccn2)CC1
• Canonical SMILES: CC(=O)Nc1ccnn1C1CCN(CC1)C(=O)c1onc(c1)c1ccccc1
• InChI: InChI=1S/C20H21N5O3/c1-14(26)22-19-7-10-21-25(19)16-8-11-24(12-9-16)20(27)18-13-17(23-28-18)15-5-3-2-4-6-15/h2-7,10,13,16H,8-9,11-12H2,1H3,(H,22,26)
• InChIKey: OZZMPKJZUXEXHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl}acetamide
• IUPAC Traditional name: N-{2-[1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl}acetamide
• Synonyms: N-(1-{1-[(3-phenyl-5-isoxazolyl)carbonyl]-4-piperidinyl}-1H-pyrazol-5-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.613112
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.153529
• LogD (pH = 7.4): 1.1536032
• Log P: 1.1536044
• Molar Refractivity: 115.5542 cm^3
• Polarizability: 39.87988 Å^3
• Polar Surface Area: 93.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.76
• LOG S: -5.73
• Polar Surface Area: 93.26 Å^2
• Rotatable Bonds: 4