1-(2-methoxyethyl)-4-[5-(propan-2-yl)-1,2-oxazole-3-carbonyl]piperazine

• ChemBase ID: 550230
• Molecular Formular: C14H23N3O3
• Molecular Mass: 281.35072
• Monoisotopic Mass: 281.17394161
• SMILES: c1(noc(c1)C(C)C)C(=O)N1CCN(CC1)CCOC
• Canonical SMILES: COCCN1CCN(CC1)C(=O)c1noc(c1)C(C)C
• InChI: InChI=1S/C14H23N3O3/c1-11(2)13-10-12(15-20-13)14(18)17-6-4-16(5-7-17)8-9-19-3/h10-11H,4-9H2,1-3H3
• InChIKey: PHRFIYZWIABFTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)-4-[5-(propan-2-yl)-1,2-oxazole-3-carbonyl]piperazine
• IUPAC Traditional name: 1-(5-isopropyl-1,2-oxazole-3-carbonyl)-4-(2-methoxyethyl)piperazine
• Synonyms: 1-[(5-isopropyl-3-isoxazolyl)carbonyl]-4-(2-methoxyethyl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.10972518
• LogD (pH = 7.4): 0.85994625
• Log P: 0.9088346
• Molar Refractivity: 77.2387 cm^3
• Polarizability: 29.02543 Å^3
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.71
• LOG S: -1.96
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 5