1-{2-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-2-yl]ethyl}pyrrolidin-2-one

• ChemBase ID: 546789
• Molecular Formular: C16H23N3O3
• Molecular Mass: 305.37212
• Monoisotopic Mass: 305.17394161
• SMILES: c1(C(=O)N2C(CCN3C(=O)CCC3)CCCC2)ncoc1C
• Canonical SMILES: O=C1CCCN1CCC1CCCCN1C(=O)c1ncoc1C
• InChI: InChI=1S/C16H23N3O3/c1-12-15(17-11-22-12)16(21)19-9-3-2-5-13(19)7-10-18-8-4-6-14(18)20/h11,13H,2-10H2,1H3
• InChIKey: NRSDKMQQNGSVIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-2-yl]ethyl}pyrrolidin-2-one
• IUPAC Traditional name: 1-{2-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-2-yl]ethyl}pyrrolidin-2-one
• Synonyms: 1-(2-{1-[(5-methyl-1,3-oxazol-4-yl)carbonyl]-2-piperidinyl}ethyl)-2-pyrrolidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.24117595
• LogD (pH = 7.4): 0.24117604
• Log P: 0.24117604
• Molar Refractivity: 82.2801 cm^3
• Polarizability: 30.98554 Å^3
• Polar Surface Area: 66.65 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.56
• LOG S: -2.26
• Polar Surface Area: 66.65 Å^2
• Rotatable Bonds: 4