1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazine

• ChemBase ID: 350074
• Molecular Formular: C18H20ClN5O2
• Molecular Mass: 373.8367
• Monoisotopic Mass: 373.13055259
• SMILES: n1c(c(oc1c1ccc(cc1)Cl)C)CN1CCN(c2nonc2C)CC1
• Canonical SMILES: Clc1ccc(cc1)c1oc(c(n1)CN1CCN(CC1)c1nonc1C)C
• InChI: InChI=1S/C18H20ClN5O2/c1-12-17(22-26-21-12)24-9-7-23(8-10-24)11-16-13(2)25-18(20-16)14-3-5-15(19)6-4-14/h3-6H,7-11H2,1-2H3
• InChIKey: OSCJLPZFTPDKAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.1287694
• LogD (pH = 7.4): 2.7984347
• Log P: 2.819295
• Molar Refractivity: 111.6682 cm^3
• Polarizability: 37.859035 Å^3
• Polar Surface Area: 71.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.87
• LOG S: -3.91
• Polar Surface Area: 71.43 Å^2
• Rotatable Bonds: 4