3-(2-oxo-2-{3-[1-(pyridin-3-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}ethyl)-1,3-oxazolidin-2-one

• ChemBase ID: 727083
• Molecular Formular: C19H23N5O3
• Molecular Mass: 369.41762
• Monoisotopic Mass: 369.18008962
• SMILES: c1(n(Cc2cnccc2)ccn1)C1CN(C(=O)CN2C(=O)OCC2)CCC1
• Canonical SMILES: O=C(N1CCCC(C1)c1nccn1Cc1cccnc1)CN1CCOC1=O
• InChI: InChI=1S/C19H23N5O3/c25-17(14-24-9-10-27-19(24)26)22-7-2-4-16(13-22)18-21-6-8-23(18)12-15-3-1-5-20-11-15/h1,3,5-6,8,11,16H,2,4,7,9-10,12-14H2
• InChIKey: BRGLSIKEVXPXFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-oxo-2-{3-[1-(pyridin-3-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}ethyl)-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-(2-oxo-2-{3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl}ethyl)-1,3-oxazolidin-2-one
• Synonyms: 3-(2-oxo-2-{3-[1-(3-pyridinylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}ethyl)-1,3-oxazolidin-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.381514
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.6709179
• LogD (pH = 7.4): 0.11467354
• Log P: 0.14390393
• Molar Refractivity: 98.0042 cm^3
• Polarizability: 37.713783 Å^3
• Polar Surface Area: 80.56 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: -0.09
• LOG S: -1.83
• Polar Surface Area: 80.56 Å^2
• Rotatable Bonds: 5