N-[2-(4,6-dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)ethyl]-3-ethyl-4,5-dihydro-1,2-oxazole-5-carboxamide

• ChemBase ID: 375386
• Molecular Formular: C14H20N4O3
• Molecular Mass: 292.3336
• Monoisotopic Mass: 292.15354052
• SMILES: c1(=O)n(c(cc(n1)C)C)CCNC(=O)C1ON=C(C1)CC
• Canonical SMILES: CCC1=NOC(C1)C(=O)NCCn1c(C)cc(nc1=O)C
• InChI: InChI=1S/C14H20N4O3/c1-4-11-8-12(21-17-11)13(19)15-5-6-18-10(3)7-9(2)16-14(18)20/h7,12H,4-6,8H2,1-3H3,(H,15,19)
• InChIKey: IGBZFRNOHCMRLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4,6-dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)ethyl]-3-ethyl-4,5-dihydro-1,2-oxazole-5-carboxamide
• IUPAC Traditional name: N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-ethyl-4,5-dihydro-1,2-oxazole-5-carboxamide
• Synonyms: N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]-3-ethyl-4,5-dihydroisoxazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.88058
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.09576384
• LogD (pH = 7.4): 0.10306951
• Log P: 0.103163466
• Molar Refractivity: 78.1169 cm^3
• Polarizability: 29.442589 Å^3
• Polar Surface Area: 83.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.21
• LOG S: -2.46
• Polar Surface Area: 85.58 Å^2
• Rotatable Bonds: 5