1-(4-methyl-1,3-oxazole-5-carbonyl)-3-phenylpiperazine

• ChemBase ID: 477016
• Molecular Formular: C15H17N3O2
• Molecular Mass: 271.31438
• Monoisotopic Mass: 271.1320768
• SMILES: c1(C(=O)N2CC(NCC2)c2ccccc2)c(nco1)C
• Canonical SMILES: O=C(c1ocnc1C)N1CCNC(C1)c1ccccc1
• InChI: InChI=1S/C15H17N3O2/c1-11-14(20-10-17-11)15(19)18-8-7-16-13(9-18)12-5-3-2-4-6-12/h2-6,10,13,16H,7-9H2,1H3
• InChIKey: SGJCXZYRBFZCPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methyl-1,3-oxazole-5-carbonyl)-3-phenylpiperazine
• IUPAC Traditional name: 1-(4-methyl-1,3-oxazole-5-carbonyl)-3-phenylpiperazine
• Synonyms: 1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-3-phenylpiperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1933601
• LogD (pH = 7.4): 0.29648665
• Log P: 0.51281273
• Molar Refractivity: 75.1464 cm^3
• Polarizability: 28.676668 Å^3
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.16
• LOG S: -2.35
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 2