N-methyl-2-[3-(4-phenylphenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-N-(propan-2-yl)acetamide

• ChemBase ID: 678721
• Molecular Formular: C24H27N3O2
• Molecular Mass: 389.49008
• Monoisotopic Mass: 389.21032712
• SMILES: c12c(noc1CCN(C2)CC(=O)N(C(C)C)C)c1ccc(cc1)c1ccccc1
• Canonical SMILES: CC(N(C(=O)CN1CCc2c(C1)c(no2)c1ccc(cc1)c1ccccc1)C)C
• InChI: InChI=1S/C24H27N3O2/c1-17(2)26(3)23(28)16-27-14-13-22-21(15-27)24(25-29-22)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-12,17H,13-16H2,1-3H3
• InChIKey: HZJDLPZNBYIEDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-[3-(4-phenylphenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-N-(propan-2-yl)acetamide
• IUPAC Traditional name: N-isopropyl-N-methyl-2-[3-(4-phenylphenyl)-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]acetamide
• Synonyms: 2-(3-biphenyl-4-yl-6,7-dihydroisoxazolo[4,5-c]pyridin-5(4H)-yl)-N-isopropyl-N-methylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1566749
• LogD (pH = 7.4): 3.460048
• Log P: 3.582453
• Molar Refractivity: 116.1082 cm^3
• Polarizability: 46.780537 Å^3
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.4
• LOG S: -4.94
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 5