N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

• ChemBase ID: 574615
• Molecular Formular: C20H19N5O3
• Molecular Mass: 377.39656
• Monoisotopic Mass: 377.14878949
• SMILES: n1c(onc1COc1ccccc1)c1cnc(N(Cc2onc(c2)C)C)cc1
• Canonical SMILES: Cc1noc(c1)CN(c1ccc(cn1)c1onc(n1)COc1ccccc1)C
• InChI: InChI=1S/C20H19N5O3/c1-14-10-17(27-23-14)12-25(2)19-9-8-15(11-21-19)20-22-18(24-28-20)13-26-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3
• InChIKey: GJSMUGUIMSHLKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
• IUPAC Traditional name: N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
• Synonyms: N-methyl-N-[(3-methyl-5-isoxazolyl)methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.6272373
• LogD (pH = 7.4): 3.7044508
• Log P: 3.7055342
• Molar Refractivity: 115.471 cm^3
• Polarizability: 39.105812 Å^3
• Polar Surface Area: 90.31 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.66
• LOG S: -4.84
• Polar Surface Area: 90.31 Å^2
• Rotatable Bonds: 7