4-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-1-(4-methoxyphenyl)-2,2-dimethylpiperazine

• ChemBase ID: 584294
• Molecular Formular: C20H25N3O3
• Molecular Mass: 355.4308
• Monoisotopic Mass: 355.18959168
• SMILES: c1(C(=O)N2CC(N(CC2)c2ccc(cc2)OC)(C)C)c(C2CC2)ocn1
• Canonical SMILES: COc1ccc(cc1)N1CCN(CC1(C)C)C(=O)c1ncoc1C1CC1
• InChI: InChI=1S/C20H25N3O3/c1-20(2)12-22(19(24)17-18(14-4-5-14)26-13-21-17)10-11-23(20)15-6-8-16(25-3)9-7-15/h6-9,13-14H,4-5,10-12H2,1-3H3
• InChIKey: XUBNGGZBRGXXEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-1-(4-methoxyphenyl)-2,2-dimethylpiperazine
• IUPAC Traditional name: 4-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-1-(4-methoxyphenyl)-2,2-dimethylpiperazine
• Synonyms: 4-[(5-cyclopropyl-1,3-oxazol-4-yl)carbonyl]-1-(4-methoxyphenyl)-2,2-dimethylpiperazine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 1.43
• LOG S: -3.01
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 4
• H Acceptors: 4
• H Donor: 0

JChem

• Molar Refractivity: 99.6791 cm^3
• Polarizability: 37.458416 Å^3
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4862823
• LogD (pH = 7.4): 2.499855
• Log P: 2.5000308