5-cyclopropyl-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1,3-oxazole-4-carboxamide

• ChemBase ID: 730392
• Molecular Formular: C14H16N4O2
• Molecular Mass: 272.30244
• Monoisotopic Mass: 272.12732577
• SMILES: c1(c(C2CC2)ocn1)C(=O)NCc1nc(cc(n1)C)C
• Canonical SMILES: Cc1cc(C)nc(n1)CNC(=O)c1ncoc1C1CC1
• InChI: InChI=1S/C14H16N4O2/c1-8-5-9(2)18-11(17-8)6-15-14(19)12-13(10-3-4-10)20-7-16-12/h5,7,10H,3-4,6H2,1-2H3,(H,15,19)
• InChIKey: HLQLJCOQMYQJSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropyl-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: 5-cyclopropyl-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1,3-oxazole-4-carboxamide
• Synonyms: 5-cyclopropyl-N-[(4,6-dimethyl-2-pyrimidinyl)methyl]-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.464708
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.5709506
• LogD (pH = 7.4): 0.57124543
• Log P: 0.5712527
• Molar Refractivity: 72.6842 cm^3
• Polarizability: 27.099262 Å^3
• Polar Surface Area: 80.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.22
• LOG S: -4.14
• Polar Surface Area: 80.91 Å^2
• Rotatable Bonds: 4