N,N-dimethyl-5-{2-[2-(propan-2-yl)-1H-imidazol-1-yl]propanoyl}-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

• ChemBase ID: 324611
• Molecular Formular: C18H25N5O3
• Molecular Mass: 359.4228
• Monoisotopic Mass: 359.19573969
• SMILES: c1(c2CN(C(=O)C(n3c(ncc3)C(C)C)C)CCc2on1)C(=O)N(C)C
• Canonical SMILES: O=C(C(n1ccnc1C(C)C)C)N1CCc2c(C1)c(no2)C(=O)N(C)C
• InChI: InChI=1S/C18H25N5O3/c1-11(2)16-19-7-9-23(16)12(3)17(24)22-8-6-14-13(10-22)15(20-26-14)18(25)21(4)5/h7,9,11-12H,6,8,10H2,1-5H3
• InChIKey: GYXJYVNYJJYNFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-5-{2-[2-(propan-2-yl)-1H-imidazol-1-yl]propanoyl}-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
• IUPAC Traditional name: 5-[2-(2-isopropylimidazol-1-yl)propanoyl]-N,N-dimethyl-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
• Synonyms: 5-[2-(2-isopropyl-1H-imidazol-1-yl)propanoyl]-N,N-dimethyl-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.31444085
• LogD (pH = 7.4): 0.5036352
• Log P: 0.6362452
• Molar Refractivity: 97.5976 cm^3
• Polarizability: 36.287647 Å^3
• Polar Surface Area: 84.47 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: -1.23
• LOG S: -2.08
• Polar Surface Area: 84.47 Å^2
• Rotatable Bonds: 4