N-(oxolan-2-ylmethyl)-5-(propan-2-yl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide

• ChemBase ID: 634738
• Molecular Formular: C18H23N3O3
• Molecular Mass: 329.39352
• Monoisotopic Mass: 329.17394161
• SMILES: c1(noc(c1)C(C)C)C(=O)N(Cc1ccncc1)CC1OCCC1
• Canonical SMILES: O=C(c1noc(c1)C(C)C)N(Cc1ccncc1)CC1CCCO1
• InChI: InChI=1S/C18H23N3O3/c1-13(2)17-10-16(20-24-17)18(22)21(12-15-4-3-9-23-15)11-14-5-7-19-8-6-14/h5-8,10,13,15H,3-4,9,11-12H2,1-2H3
• InChIKey: ZMAKBWLMMSDGCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(oxolan-2-ylmethyl)-5-(propan-2-yl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: 5-isopropyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
• Synonyms: 5-isopropyl-N-(4-pyridinylmethyl)-N-(tetrahydro-2-furanylmethyl)-3-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9244801
• LogD (pH = 7.4): 2.0324607
• Log P: 2.0340803
• Molar Refractivity: 90.8555 cm^3
• Polarizability: 34.331745 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.02
• LOG S: -1.59
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 6