3-(2-{3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}-2-oxoethyl)-1,3-oxazolidin-2-one

• ChemBase ID: 863737
• Molecular Formular: C18H26N4O3
• Molecular Mass: 346.42404
• Monoisotopic Mass: 346.20049071
• SMILES: c1(n(ccn1)CC1CCC1)C1CN(C(=O)CN2C(=O)OCC2)CCC1
• Canonical SMILES: O=C(N1CCCC(C1)c1nccn1CC1CCC1)CN1CCOC1=O
• InChI: InChI=1S/C18H26N4O3/c23-16(13-22-9-10-25-18(22)24)20-7-2-5-15(12-20)17-19-6-8-21(17)11-14-3-1-4-14/h6,8,14-15H,1-5,7,9-13H2
• InChIKey: XGCVXTLXSKDSIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-{3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}-2-oxoethyl)-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-(2-{3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl}-2-oxoethyl)-1,3-oxazolidin-2-one
• Synonyms: 3-(2-{3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}-2-oxoethyl)-1,3-oxazolidin-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.381514
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.19560996
• LogD (pH = 7.4): 0.8334656
• Log P: 0.8622492
• Molar Refractivity: 92.0915 cm^3
• Polarizability: 35.658005 Å^3
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.08
• LOG S: -2.65
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 5