5-methyl-4-[(2-methyl-1H-imidazol-1-yl)methyl]-2-(naphthalen-2-yl)-1,3-oxazole

• ChemBase ID: 694064
• Molecular Formular: C19H17N3O
• Molecular Mass: 303.35778
• Monoisotopic Mass: 303.13716218
• SMILES: n1c(c(oc1c1cc2c(cc1)cccc2)C)Cn1c(ncc1)C
• Canonical SMILES: Cc1oc(nc1Cn1ccnc1C)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C19H17N3O/c1-13-18(12-22-10-9-20-14(22)2)21-19(23-13)17-8-7-15-5-3-4-6-16(15)11-17/h3-11H,12H2,1-2H3
• InChIKey: QOMCDYSHNLVWDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-4-[(2-methyl-1H-imidazol-1-yl)methyl]-2-(naphthalen-2-yl)-1,3-oxazole
• IUPAC Traditional name: 5-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-(naphthalen-2-yl)-1,3-oxazole
• Synonyms: 5-methyl-4-[(2-methyl-1H-imidazol-1-yl)methyl]-2-(2-naphthyl)-1,3-oxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1568859
• LogD (pH = 7.4): 2.9371634
• Log P: 3.1631613
• Molar Refractivity: 99.8515 cm^3
• Polarizability: 35.83711 Å^3
• Polar Surface Area: 43.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.48
• LOG S: -4.38
• Polar Surface Area: 43.85 Å^2
• Rotatable Bonds: 3