5-methyl-4-({1-methyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl}methyl)-2-(3-methylphenyl)-1,3-oxazole

• ChemBase ID: 381796
• Molecular Formular: C20H23N3O
• Molecular Mass: 321.41612
• Monoisotopic Mass: 321.18411237
• SMILES: n1c(c(oc1c1cc(ccc1)C)C)CN1C(c2n(ccc2)CC1)C
• Canonical SMILES: Cc1cccc(c1)c1oc(c(n1)CN1CCn2c(C1C)ccc2)C
• InChI: InChI=1S/C20H23N3O/c1-14-6-4-7-17(12-14)20-21-18(16(3)24-20)13-23-11-10-22-9-5-8-19(22)15(23)2/h4-9,12,15H,10-11,13H2,1-3H3
• InChIKey: OIDKUOFXPQGIGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-4-({1-methyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl}methyl)-2-(3-methylphenyl)-1,3-oxazole
• IUPAC Traditional name: 5-methyl-4-({1-methyl-1H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl}methyl)-2-(3-methylphenyl)-1,3-oxazole
• Synonyms: 1-methyl-2-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8360403
• LogD (pH = 7.4): 3.8182483
• Log P: 3.8688433
• Molar Refractivity: 106.6758 cm^3
• Polarizability: 37.352837 Å^3
• Polar Surface Area: 34.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.9
• LOG S: -4.97
• Polar Surface Area: 34.2 Å^2
• Rotatable Bonds: 3