(2S,4S)-4-amino-N-(propan-2-yl)-1-[5-(propan-2-yl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxamide

• ChemBase ID: 746047
• Molecular Formular: C15H24N4O3
• Molecular Mass: 308.37606
• Monoisotopic Mass: 308.18484065
• SMILES: c1(C(=O)N2[C@H](C(=O)NC(C)C)C[C@@H](C2)N)c(ocn1)C(C)C
• Canonical SMILES: N[C@H]1C[C@H](N(C1)C(=O)c1ncoc1C(C)C)C(=O)NC(C)C
• InChI: InChI=1S/C15H24N4O3/c1-8(2)13-12(17-7-22-13)15(21)19-6-10(16)5-11(19)14(20)18-9(3)4/h7-11H,5-6,16H2,1-4H3,(H,18,20)/t10-,11-/m0/s1
• InChIKey: GXPDXPWMGGNZDK-QWRGUYRKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,4S)-4-amino-N-(propan-2-yl)-1-[5-(propan-2-yl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxamide
• IUPAC Traditional name: (2S,4S)-4-amino-N-isopropyl-1-(5-isopropyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxamide
• Synonyms: (4S)-4-amino-N-isopropyl-1-[(5-isopropyl-1,3-oxazol-4-yl)carbonyl]-L-prolinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.789886
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.2223248
• LogD (pH = 7.4): -2.0202405
• Log P: -0.28268942
• Molar Refractivity: 81.6451 cm^3
• Polarizability: 31.397722 Å^3
• Polar Surface Area: 101.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -1.62
• LOG S: -1.38
• Polar Surface Area: 101.46 Å^2
• Rotatable Bonds: 4