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

• ChemBase ID: 490362
• Molecular Formular: C14H19N5O2
• Molecular Mass: 289.33296
• Monoisotopic Mass: 289.15387487
• SMILES: n1c(onc1C(C)C)C1N(C(=O)c2cn(nc2)C)CCC1
• Canonical SMILES: Cn1ncc(c1)C(=O)N1CCCC1c1onc(n1)C(C)C
• InChI: InChI=1S/C14H19N5O2/c1-9(2)12-16-13(21-17-12)11-5-4-6-19(11)14(20)10-7-15-18(3)8-10/h7-9,11H,4-6H2,1-3H3
• InChIKey: YWLDYTRIYJEBLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5248394
• LogD (pH = 7.4): 1.5248529
• Log P: 1.5248531
• Molar Refractivity: 89.501 cm^3
• Polarizability: 28.60269 Å^3
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.76
• LOG S: -1.97
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 3