1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-[2-(phenoxymethyl)-1,3-oxazole-4-carbonyl]piperazine

• ChemBase ID: 855626
• Molecular Formular: C19H21N5O4
• Molecular Mass: 383.40114
• Monoisotopic Mass: 383.15935418
• SMILES: c1(nc(oc1)COc1ccccc1)C(=O)N1CCN(Cc2nc(on2)C)CC1
• Canonical SMILES: Cc1onc(n1)CN1CCN(CC1)C(=O)c1coc(n1)COc1ccccc1
• InChI: InChI=1S/C19H21N5O4/c1-14-20-17(22-28-14)11-23-7-9-24(10-8-23)19(25)16-12-27-18(21-16)13-26-15-5-3-2-4-6-15/h2-6,12H,7-11,13H2,1H3
• InChIKey: WGYKRYMXYXQNOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-[2-(phenoxymethyl)-1,3-oxazole-4-carbonyl]piperazine
• IUPAC Traditional name: 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-[2-(phenoxymethyl)-1,3-oxazole-4-carbonyl]piperazine
• Synonyms: 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-{[2-(phenoxymethyl)-1,3-oxazol-4-yl]carbonyl}piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.3470881
• LogD (pH = 7.4): 1.357316
• Log P: 1.3574481
• Molar Refractivity: 100.9002 cm^3
• Polarizability: 37.822014 Å^3
• Polar Surface Area: 97.73 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 0
• Log P: -0.42
• LOG S: -2.95
• Polar Surface Area: 97.73 Å^2
• Rotatable Bonds: 6