4-{6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl}-2-(4-methylpentyl)morpholine

• ChemBase ID: 677801
• Molecular Formular: C21H29N3O3
• Molecular Mass: 371.47326
• Monoisotopic Mass: 371.2208918
• SMILES: c12c(c(C(=O)N3CC(OCC3)CCCC(C)C)cc(n1)C1CC1)c(no2)C
• Canonical SMILES: CC(CCCC1OCCN(C1)C(=O)c1cc(nc2c1c(C)no2)C1CC1)C
• InChI: InChI=1S/C21H29N3O3/c1-13(2)5-4-6-16-12-24(9-10-26-16)21(25)17-11-18(15-7-8-15)22-20-19(17)14(3)23-27-20/h11,13,15-16H,4-10,12H2,1-3H3
• InChIKey: SQDVFXSPLCESAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl}-2-(4-methylpentyl)morpholine
• IUPAC Traditional name: 4-{6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl}-2-(4-methylpentyl)morpholine
• Synonyms: 6-cyclopropyl-3-methyl-4-{[2-(4-methylpentyl)-4-morpholinyl]carbonyl}isoxazolo[5,4-b]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.1883082
• LogD (pH = 7.4): 3.1883097
• Log P: 3.1883097
• Molar Refractivity: 103.4463 cm^3
• Polarizability: 39.981457 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.65
• LOG S: -4.17
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 6