methyl 2-{[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl}-1,3-oxazole-4-carboxylate

• ChemBase ID: 340243
• Molecular Formular: C15H21N3O4
• Molecular Mass: 307.34494
• Monoisotopic Mass: 307.15320617
• SMILES: c1(nc(oc1)CN1CCC(N2C(=O)CCC2)CC1)C(=O)OC
• Canonical SMILES: COC(=O)c1coc(n1)CN1CCC(CC1)N1CCCC1=O
• InChI: InChI=1S/C15H21N3O4/c1-21-15(20)12-10-22-13(16-12)9-17-7-4-11(5-8-17)18-6-2-3-14(18)19/h10-11H,2-9H2,1H3
• InChIKey: MGPHSUNXDANHPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-{[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl}-1,3-oxazole-4-carboxylate
• IUPAC Traditional name: methyl 2-{[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl}-1,3-oxazole-4-carboxylate
• Synonyms: methyl 2-{[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl}-1,3-oxazole-4-carboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.136898
• LogD (pH = 7.4): -0.24025384
• Log P: -0.40026885
• Molar Refractivity: 78.908 cm^3
• Polarizability: 30.515932 Å^3
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.1
• LOG S: -2.67
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 5