N-(2-methyl-1H-1,3-benzodiazol-6-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide

• ChemBase ID: 862820
• Molecular Formular: C17H21N5O3
• Molecular Mass: 343.38034
• Monoisotopic Mass: 343.16443956
• SMILES: C(=O)(N1CCC(N2C(=O)OCC2)CC1)Nc1cc2[nH]c(nc2cc1)C
• Canonical SMILES: O=C(N1CCC(CC1)N1CCOC1=O)Nc1ccc2c(c1)[nH]c(n2)C
• InChI: InChI=1S/C17H21N5O3/c1-11-18-14-3-2-12(10-15(14)19-11)20-16(23)21-6-4-13(5-7-21)22-8-9-25-17(22)24/h2-3,10,13H,4-9H2,1H3,(H,18,19)(H,20,23)
• InChIKey: QDZZXFHCEFQSQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methyl-1H-1,3-benzodiazol-6-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide
• IUPAC Traditional name: N-(2-methyl-3H-1,3-benzodiazol-5-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide
• Synonyms: N-(2-methyl-1H-benzimidazol-6-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.342812
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.36706406
• LogD (pH = 7.4): 0.40031058
• Log P: 0.43555236
• Molar Refractivity: 92.1192 cm^3
• Polarizability: 35.775322 Å^3
• Polar Surface Area: 90.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.15
• LOG S: -3.14
• Polar Surface Area: 90.56 Å^2
• Rotatable Bonds: 2