1-(2-ethoxyethyl)-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazine

• ChemBase ID: 861426
• Molecular Formular: C13H21N3O3
• Molecular Mass: 267.32414
• Monoisotopic Mass: 267.15829155
• SMILES: c1(C(=O)N2CCN(CC2)CCOCC)ncoc1C
• Canonical SMILES: CCOCCN1CCN(CC1)C(=O)c1ncoc1C
• InChI: InChI=1S/C13H21N3O3/c1-3-18-9-8-15-4-6-16(7-5-15)13(17)12-11(2)19-10-14-12/h10H,3-9H2,1-2H3
• InChIKey: HULMYFFDHOSODQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.0690035
• LogD (pH = 7.4): -0.0941004
• Log P: -0.0445067
• Molar Refractivity: 72.2591 cm^3
• Polarizability: 27.192358 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: -1.01
• LOG S: -1.6
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 5