5-(3-methoxyphenoxymethyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2-oxazole-3-carboxamide

• ChemBase ID: 330512
• Molecular Formular: C22H31N3O4
• Molecular Mass: 401.49924
• Monoisotopic Mass: 401.23145649
• SMILES: c1(C(=O)N(C2CC(NC(C2)(C)C)(C)C)C)noc(c1)COc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)OCc1onc(c1)C(=O)N(C1CC(C)(C)NC(C1)(C)C)C
• InChI: InChI=1S/C22H31N3O4/c1-21(2)12-15(13-22(3,4)24-21)25(5)20(26)19-11-18(29-23-19)14-28-17-9-7-8-16(10-17)27-6/h7-11,15,24H,12-14H2,1-6H3
• InChIKey: UINRYYAESLVGIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3-methoxyphenoxymethyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: 5-(3-methoxyphenoxymethyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
• Synonyms: 5-[(3-methoxyphenoxy)methyl]-N-methyl-N-(2,2,6,6-tetramethyl-4-piperidinyl)-3-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.84347135
• LogD (pH = 7.4): -0.40657112
• Log P: 2.3888273
• Molar Refractivity: 111.6867 cm^3
• Polarizability: 43.00657 Å^3
• Polar Surface Area: 76.83 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.57
• LOG S: -4.06
• Polar Surface Area: 76.83 Å^2
• Rotatable Bonds: 5