1-(5-ethyl-1,3-oxazole-4-carbonyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine

• ChemBase ID: 569183
• Molecular Formular: C18H19N5O2S
• Molecular Mass: 369.44076
• Monoisotopic Mass: 369.12594587
• SMILES: n1c(snc1c1ccccc1)N1CCN(C(=O)c2ncoc2CC)CC1
• Canonical SMILES: CCc1ocnc1C(=O)N1CCN(CC1)c1snc(n1)c1ccccc1
• InChI: InChI=1S/C18H19N5O2S/c1-2-14-15(19-12-25-14)17(24)22-8-10-23(11-9-22)18-20-16(21-26-18)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3
• InChIKey: DSAZEHWXICTYLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-ethyl-1,3-oxazole-4-carbonyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine
• IUPAC Traditional name: 1-(5-ethyl-1,3-oxazole-4-carbonyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine
• Synonyms: 1-[(5-ethyl-1,3-oxazol-4-yl)carbonyl]-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.30314
• LogD (pH = 7.4): 3.3032408
• Log P: 3.303242
• Molar Refractivity: 111.3956 cm^3
• Polarizability: 37.350086 Å^3
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.37
• LOG S: -3.96
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 3