N-ethyl-5-{[(4-methoxynaphthalen-1-yl)oxy]methyl}-N-[2-(1H-pyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide

• ChemBase ID: 559563
• Molecular Formular: C23H24N4O4
• Molecular Mass: 420.46106
• Monoisotopic Mass: 420.17975527
• SMILES: c1(noc(c1)COc1c2c(c(cc1)OC)cccc2)C(=O)N(CCn1nccc1)CC
• Canonical SMILES: CCN(C(=O)c1noc(c1)COc1ccc(c2c1cccc2)OC)CCn1cccn1
• InChI: InChI=1S/C23H24N4O4/c1-3-26(13-14-27-12-6-11-24-27)23(28)20-15-17(31-25-20)16-30-22-10-9-21(29-2)18-7-4-5-8-19(18)22/h4-12,15H,3,13-14,16H2,1-2H3
• InChIKey: ZFQJWIHKNIOWHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-5-{[(4-methoxynaphthalen-1-yl)oxy]methyl}-N-[2-(1H-pyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-ethyl-5-{[(4-methoxynaphthalen-1-yl)oxy]methyl}-N-[2-(pyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
• Synonyms: N-ethyl-5-{[(4-methoxy-1-naphthyl)oxy]methyl}-N-[2-(1H-pyrazol-1-yl)ethyl]-3-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.9264987
• LogD (pH = 7.4): 2.9266295
• Log P: 2.9266312
• Molar Refractivity: 127.6075 cm^3
• Polarizability: 45.054573 Å^3
• Polar Surface Area: 82.62 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 3.18
• LOG S: -4.9
• Polar Surface Area: 82.62 Å^2
• Rotatable Bonds: 7