N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N,4,6-trimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

• ChemBase ID: 534958
• Molecular Formular: C15H20N4O3
• Molecular Mass: 304.3443
• Monoisotopic Mass: 304.15354052
• SMILES: C1(=C(NC(=O)NC1C)C)C(=O)N(Cc1noc(c1)C1CC1)C
• Canonical SMILES: O=C1NC(C)C(=C(N1)C)C(=O)N(Cc1noc(c1)C1CC1)C
• InChI: InChI=1S/C15H20N4O3/c1-8-13(9(2)17-15(21)16-8)14(20)19(3)7-11-6-12(22-18-11)10-4-5-10/h6,8,10H,4-5,7H2,1-3H3,(H2,16,17,21)
• InChIKey: NVTHTGWMJASELU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N,4,6-trimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
• IUPAC Traditional name: N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
• Synonyms: N-[(5-cyclopropylisoxazol-3-yl)methyl]-N,4,6-trimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.547325
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.42916906
• LogD (pH = 7.4): -0.42917034
• Log P: -0.4291676
• Molar Refractivity: 81.5433 cm^3
• Polarizability: 30.26129 Å^3
• Polar Surface Area: 87.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.45
• LOG S: -1.8
• Polar Surface Area: 87.47 Å^2
• Rotatable Bonds: 4