1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-(5-propyl-1,2-oxazole-3-carbonyl)piperazine

• ChemBase ID: 683957
• Molecular Formular: C16H23N5O2
• Molecular Mass: 317.38612
• Monoisotopic Mass: 317.185175
• SMILES: c1(noc(c1)CCC)C(=O)N1CCN(Cc2n(ccn2)C)CC1
• Canonical SMILES: CCCc1onc(c1)C(=O)N1CCN(CC1)Cc1nccn1C
• InChI: InChI=1S/C16H23N5O2/c1-3-4-13-11-14(18-23-13)16(22)21-9-7-20(8-10-21)12-15-17-5-6-19(15)2/h5-6,11H,3-4,7-10,12H2,1-2H3
• InChIKey: DVPRPCCZBQETMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-(5-propyl-1,2-oxazole-3-carbonyl)piperazine
• IUPAC Traditional name: 1-[(1-methylimidazol-2-yl)methyl]-4-(5-propyl-1,2-oxazole-3-carbonyl)piperazine
• Synonyms: 1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-[(5-propyl-3-isoxazolyl)carbonyl]piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.35431856
• LogD (pH = 7.4): 0.9188726
• Log P: 0.93825155
• Molar Refractivity: 88.1157 cm^3
• Polarizability: 32.811016 Å^3
• Polar Surface Area: 67.4 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: -0.13
• LOG S: -2.71
• Polar Surface Area: 67.4 Å^2
• Rotatable Bonds: 5