5-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-N,N-dimethyl-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

• ChemBase ID: 511503
• Molecular Formular: C20H23N3O3
• Molecular Mass: 353.41492
• Monoisotopic Mass: 353.17394161
• SMILES: c1(c2CN(C(=O)CC3c4c(CC3)cccc4)CCc2on1)C(=O)N(C)C
• Canonical SMILES: O=C(N1CCc2c(C1)c(no2)C(=O)N(C)C)CC1CCc2c1cccc2
• InChI: InChI=1S/C20H23N3O3/c1-22(2)20(25)19-16-12-23(10-9-17(16)26-21-19)18(24)11-14-8-7-13-5-3-4-6-15(13)14/h3-6,14H,7-12H2,1-2H3
• InChIKey: QKKNITKISPPVNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-N,N-dimethyl-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
• IUPAC Traditional name: 5-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-N,N-dimethyl-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
• Synonyms: 5-(2,3-dihydro-1H-inden-1-ylacetyl)-N,N-dimethyl-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5367361
• LogD (pH = 7.4): 1.5367362
• Log P: 1.5367362
• Molar Refractivity: 99.2217 cm^3
• Polarizability: 36.85401 Å^3
• Polar Surface Area: 66.65 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.39
• LOG S: -2.11
• Polar Surface Area: 66.65 Å^2
• Rotatable Bonds: 3