methyl 2-({3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.6]undecan-8-yl}methyl)-1,3-oxazole-4-carboxylate

• ChemBase ID: 847837
• Molecular Formular: C15H21N3O5
• Molecular Mass: 323.34434
• Monoisotopic Mass: 323.14812079
• SMILES: c1(nc(oc1)CN1CCC2(OC(=O)N(C2)C)CCC1)C(=O)OC
• Canonical SMILES: COC(=O)c1coc(n1)CN1CCCC2(CC1)CN(C(=O)O2)C
• InChI: InChI=1S/C15H21N3O5/c1-17-10-15(23-14(17)20)4-3-6-18(7-5-15)8-12-16-11(9-22-12)13(19)21-2/h9H,3-8,10H2,1-2H3
• InChIKey: OWGGZMFQFZYQRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-({3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.6]undecan-8-yl}methyl)-1,3-oxazole-4-carboxylate
• IUPAC Traditional name: methyl 2-({3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.6]undecan-8-yl}methyl)-1,3-oxazole-4-carboxylate
• Synonyms: methyl 2-[(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.6]undec-8-yl)methyl]-1,3-oxazole-4-carboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.0647569
• LogD (pH = 7.4): 0.31097335
• Log P: 0.26162574
• Molar Refractivity: 80.2015 cm^3
• Polarizability: 31.257584 Å^3
• Polar Surface Area: 85.11 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.36
• LOG S: -0.86
• Polar Surface Area: 85.11 Å^2
• Rotatable Bonds: 4