6-[3-(4-phenylphenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-4-amine

• ChemBase ID: 679958
• Molecular Formular: C22H19N5O
• Molecular Mass: 369.41916
• Monoisotopic Mass: 369.15896025
• SMILES: c12c(noc1CCN(C2)c1cc(ncn1)N)c1ccc(cc1)c1ccccc1
• Canonical SMILES: Nc1ncnc(c1)N1CCc2c(C1)c(no2)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C22H19N5O/c23-20-12-21(25-14-24-20)27-11-10-19-18(13-27)22(26-28-19)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,12,14H,10-11,13H2,(H2,23,24,25)
• InChIKey: SVQSYAQCNIFMGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[3-(4-phenylphenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-4-amine
• IUPAC Traditional name: 6-[3-(4-phenylphenyl)-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-4-amine
• Synonyms: 6-(3-biphenyl-4-yl-6,7-dihydroisoxazolo[4,5-c]pyridin-5(4H)-yl)pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.5090642
• LogD (pH = 7.4): 3.8186345
• Log P: 4.018276
• Molar Refractivity: 111.7308 cm^3
• Polarizability: 43.04383 Å^3
• Polar Surface Area: 81.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.19
• LOG S: -4.62
• Polar Surface Area: 81.07 Å^2
• Rotatable Bonds: 3