N,3,6-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

• ChemBase ID: 726516
• Molecular Formular: C20H18N4O2S
• Molecular Mass: 378.44752
• Monoisotopic Mass: 378.11504684
• SMILES: c12c(onc2C)nc(cc1C(=O)N(Cc1nc(sc1)c1ccccc1)C)C
• Canonical SMILES: Cc1nc2onc(c2c(c1)C(=O)N(Cc1csc(n1)c1ccccc1)C)C
• InChI: InChI=1S/C20H18N4O2S/c1-12-9-16(17-13(2)23-26-18(17)21-12)20(25)24(3)10-15-11-27-19(22-15)14-7-5-4-6-8-14/h4-9,11H,10H2,1-3H3
• InChIKey: AWLAEZQBAMOALI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,3,6-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• IUPAC Traditional name: N,3,6-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• Synonyms: N,3,6-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]isoxazolo[5,4-b]pyridine-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.55659
• LogD (pH = 7.4): 2.556698
• Log P: 2.5566995
• Molar Refractivity: 114.0786 cm^3
• Polarizability: 39.967693 Å^3
• Polar Surface Area: 72.12 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: 2.43
• LOG S: -4.03
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 4