3-(1-{5-phenylpyrazolo[1,5-a]pyrimidin-7-yl}piperidin-4-yl)-1,3-oxazolidin-2-one

• ChemBase ID: 328602
• Molecular Formular: C20H21N5O2
• Molecular Mass: 363.41304
• Monoisotopic Mass: 363.16952494
• SMILES: c1(n2c(nc(c1)c1ccccc1)ccn2)N1CCC(N2C(=O)OCC2)CC1
• Canonical SMILES: O=C1OCCN1C1CCN(CC1)c1cc(nc2n1ncc2)c1ccccc1
• InChI: InChI=1S/C20H21N5O2/c26-20-24(12-13-27-20)16-7-10-23(11-8-16)19-14-17(15-4-2-1-3-5-15)22-18-6-9-21-25(18)19/h1-6,9,14,16H,7-8,10-13H2
• InChIKey: YSAJLGBHOSVCMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-{5-phenylpyrazolo[1,5-a]pyrimidin-7-yl}piperidin-4-yl)-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-(1-{5-phenylpyrazolo[1,5-a]pyrimidin-7-yl}piperidin-4-yl)-1,3-oxazolidin-2-one
• Synonyms: 3-[1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-4-piperidinyl]-1,3-oxazolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5848112
• LogD (pH = 7.4): 2.5848494
• Log P: 2.5848498
• Molar Refractivity: 111.5966 cm^3
• Polarizability: 39.645313 Å^3
• Polar Surface Area: 62.97 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: 2.06
• LOG S: -3.61
• Polar Surface Area: 62.97 Å^2
• Rotatable Bonds: 3