2-(propan-2-yl)-4-{1-[1-(thiophen-2-yl)ethyl]-1H-imidazol-2-yl}-1,3-oxazole

• ChemBase ID: 604938
• Molecular Formular: C15H17N3OS
• Molecular Mass: 287.37998
• Monoisotopic Mass: 287.10923318
• SMILES: c1(c2n(C(c3sccc3)C)ccn2)nc(oc1)C(C)C
• Canonical SMILES: CC(c1occ(n1)c1nccn1C(c1cccs1)C)C
• InChI: InChI=1S/C15H17N3OS/c1-10(2)15-17-12(9-19-15)14-16-6-7-18(14)11(3)13-5-4-8-20-13/h4-11H,1-3H3
• InChIKey: GJUHBKJBPKMDAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(propan-2-yl)-4-{1-[1-(thiophen-2-yl)ethyl]-1H-imidazol-2-yl}-1,3-oxazole
• IUPAC Traditional name: 2-isopropyl-4-{1-[1-(thiophen-2-yl)ethyl]imidazol-2-yl}-1,3-oxazole
• Synonyms: 2-isopropyl-4-{1-[1-(2-thienyl)ethyl]-1H-imidazol-2-yl}-1,3-oxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7769756
• LogD (pH = 7.4): 3.8504405
• Log P: 3.8514802
• Molar Refractivity: 88.9119 cm^3
• Polarizability: 30.69703 Å^3
• Polar Surface Area: 43.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.76
• LOG S: -2.8
• Polar Surface Area: 43.85 Å^2
• Rotatable Bonds: 4