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

• ChemBase ID: 777596
• Molecular Formular: C15H21N5O3
• Molecular Mass: 319.35894
• Monoisotopic Mass: 319.16443956
• SMILES: c1(noc(c1)C(C)C)C(=O)N1CCN(Cc2nc(on2)C)CC1
• Canonical SMILES: Cc1onc(n1)CN1CCN(CC1)C(=O)c1noc(c1)C(C)C
• InChI: InChI=1S/C15H21N5O3/c1-10(2)13-8-12(17-23-13)15(21)20-6-4-19(5-7-20)9-14-16-11(3)22-18-14/h8,10H,4-7,9H2,1-3H3
• InChIKey: BDELHMDCLBISKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1434397
• LogD (pH = 7.4): 1.1548587
• Log P: 1.1550063
• Molar Refractivity: 85.3753 cm^3
• Polarizability: 31.184263 Å^3
• Polar Surface Area: 88.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: -0.42
• LOG S: -2.48
• Polar Surface Area: 88.5 Å^2
• Rotatable Bonds: 4