N-(3-cyclopentylpropyl)-5-(2,6-dimethylphenoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide

• ChemBase ID: 376345
• Molecular Formular: C22H30N2O3
• Molecular Mass: 370.4852
• Monoisotopic Mass: 370.22564283
• SMILES: c1(noc(c1)COc1c(cccc1C)C)C(=O)N(CCCC1CCCC1)C
• Canonical SMILES: CN(C(=O)c1noc(c1)COc1c(C)cccc1C)CCCC1CCCC1
• InChI: InChI=1S/C22H30N2O3/c1-16-8-6-9-17(2)21(16)26-15-19-14-20(23-27-19)22(25)24(3)13-7-12-18-10-4-5-11-18/h6,8-9,14,18H,4-5,7,10-13,15H2,1-3H3
• InChIKey: PSIYBMUVFMNQKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-cyclopentylpropyl)-5-(2,6-dimethylphenoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-(3-cyclopentylpropyl)-5-(2,6-dimethylphenoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide
• Synonyms: N-(3-cyclopentylpropyl)-5-[(2,6-dimethylphenoxy)methyl]-N-methyl-3-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.016178
• LogD (pH = 7.4): 5.016178
• Log P: 5.016178
• Molar Refractivity: 107.4585 cm^3
• Polarizability: 40.638683 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.94
• LOG S: -5.58
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 8