N,N-diethyl-1-{2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl}piperidine-3-carboxamide

• ChemBase ID: 504753
• Molecular Formular: C16H23N5O2
• Molecular Mass: 317.38612
• Monoisotopic Mass: 317.185175
• SMILES: c12c(N3CC(C(=O)N(CC)CC)CCC3)ncnc2oc(n1)C
• Canonical SMILES: CCN(C(=O)C1CCCN(C1)c1ncnc2c1nc(o2)C)CC
• InChI: InChI=1S/C16H23N5O2/c1-4-20(5-2)16(22)12-7-6-8-21(9-12)14-13-15(18-10-17-14)23-11(3)19-13/h10,12H,4-9H2,1-3H3
• InChIKey: IVSVPRSPACBICM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-1-{2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl}piperidine-3-carboxamide
• IUPAC Traditional name: N,N-diethyl-1-{2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl}piperidine-3-carboxamide
• Synonyms: N,N-diethyl-1-(2-methyl[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1722208
• LogD (pH = 7.4): 1.1724242
• Log P: 1.1724267
• Molar Refractivity: 87.8635 cm^3
• Polarizability: 33.206673 Å^3
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.72
• LOG S: -2.98
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 4