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

• ChemBase ID: 570266
• Molecular Formular: C17H18ClN5O3
• Molecular Mass: 375.80952
• Monoisotopic Mass: 375.10981714
• SMILES: c1(noc(c1)COc1cc(Cl)cnc1)C(=O)N(CCn1c(ncc1)C)C
• Canonical SMILES: Clc1cncc(c1)OCc1onc(c1)C(=O)N(CCn1ccnc1C)C
• InChI: InChI=1S/C17H18ClN5O3/c1-12-20-3-4-23(12)6-5-22(2)17(24)16-8-15(26-21-16)11-25-14-7-13(18)9-19-10-14/h3-4,7-10H,5-6,11H2,1-2H3
• InChIKey: VGUWMCFKDXUUBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{[(5-chloropyridin-3-yl)oxy]methyl}-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: 5-{[(5-chloropyridin-3-yl)oxy]methyl}-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
• Synonyms: 5-{[(5-chloro-3-pyridinyl)oxy]methyl}-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-3-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.08788374
• LogD (pH = 7.4): 0.6834415
• Log P: 0.9248008
• Molar Refractivity: 95.9822 cm^3
• Polarizability: 36.07082 Å^3
• Polar Surface Area: 86.28 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.01
• LOG S: -3.24
• Polar Surface Area: 86.28 Å^2
• Rotatable Bonds: 7