2-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1-(2-propyl-1,3-thiazole-4-carbonyl)piperidine

• ChemBase ID: 537296
• Molecular Formular: C17H24N4O2S
• Molecular Mass: 348.46306
• Monoisotopic Mass: 348.16199703
• SMILES: c1(C(=O)N2C(c3nc(no3)C(C)C)CCCC2)nc(sc1)CCC
• Canonical SMILES: CCCc1scc(n1)C(=O)N1CCCCC1c1onc(n1)C(C)C
• InChI: InChI=1S/C17H24N4O2S/c1-4-7-14-18-12(10-24-14)17(22)21-9-6-5-8-13(21)16-19-15(11(2)3)20-23-16/h10-11,13H,4-9H2,1-3H3
• InChIKey: FVRVWELXPCSODR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1-(2-propyl-1,3-thiazole-4-carbonyl)piperidine
• IUPAC Traditional name: 2-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-(2-propyl-1,3-thiazole-4-carbonyl)piperidine
• Synonyms: 2-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-[(2-propyl-1,3-thiazol-4-yl)carbonyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.8508642
• LogD (pH = 7.4): 3.8508663
• Log P: 3.8508663
• Molar Refractivity: 93.7036 cm^3
• Polarizability: 35.09036 Å^3
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.38
• LOG S: -2.92
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 5