N-(oxolan-2-ylmethyl)-5-propyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide

• ChemBase ID: 778445
• Molecular Formular: C18H23N3O3
• Molecular Mass: 329.39352
• Monoisotopic Mass: 329.17394161
• SMILES: c1(noc(c1)CCC)C(=O)N(Cc1ncccc1)CC1OCCC1
• Canonical SMILES: CCCc1onc(c1)C(=O)N(Cc1ccccn1)CC1CCCO1
• InChI: InChI=1S/C18H23N3O3/c1-2-6-15-11-17(20-24-15)18(22)21(13-16-8-5-10-23-16)12-14-7-3-4-9-19-14/h3-4,7,9,11,16H,2,5-6,8,10,12-13H2,1H3
• InChIKey: CSQSUTXPEGJKGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(oxolan-2-ylmethyl)-5-propyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-(oxolan-2-ylmethyl)-5-propyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
• Synonyms: 5-propyl-N-(2-pyridinylmethyl)-N-(tetrahydro-2-furanylmethyl)-3-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.177477
• LogD (pH = 7.4): 2.1949205
• Log P: 2.195148
• Molar Refractivity: 90.4627 cm^3
• Polarizability: 34.33319 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.16
• LOG S: -1.75
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 7