5-methyl-3-{1-[1-(propan-2-yl)-1H-pyrazole-4-carbonyl]pyrrolidin-2-yl}-1,2-oxazole

• ChemBase ID: 651967
• Molecular Formular: C15H20N4O2
• Molecular Mass: 288.3449
• Monoisotopic Mass: 288.1586259
• SMILES: c1(C(=O)N2C(c3noc(c3)C)CCC2)cn(nc1)C(C)C
• Canonical SMILES: Cc1onc(c1)C1CCCN1C(=O)c1cnn(c1)C(C)C
• InChI: InChI=1S/C15H20N4O2/c1-10(2)19-9-12(8-16-19)15(20)18-6-4-5-14(18)13-7-11(3)21-17-13/h7-10,14H,4-6H2,1-3H3
• InChIKey: HXDVILJVROIENR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-3-{1-[1-(propan-2-yl)-1H-pyrazole-4-carbonyl]pyrrolidin-2-yl}-1,2-oxazole
• IUPAC Traditional name: 3-[1-(1-isopropylpyrazole-4-carbonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole
• Synonyms: 3-{1-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-2-pyrrolidinyl}-5-methylisoxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4602736
• LogD (pH = 7.4): 1.4602866
• Log P: 1.4602867
• Molar Refractivity: 90.969 cm^3
• Polarizability: 29.437914 Å^3
• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.01
• LOG S: -2.62
• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 3