5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine

• ChemBase ID: 430937
• Molecular Formular: C14H15N5O2S
• Molecular Mass: 317.3662
• Monoisotopic Mass: 317.09464575
• SMILES: n1c(onc1COC)c1cnc(N(Cc2nccs2)C)cc1
• Canonical SMILES: COCc1noc(n1)c1ccc(nc1)N(Cc1nccs1)C
• InChI: InChI=1S/C14H15N5O2S/c1-19(8-13-15-5-6-22-13)12-4-3-10(7-16-12)14-17-11(9-20-2)18-21-14/h3-7H,8-9H2,1-2H3
• InChIKey: NBCZJXUPMILVHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.1208007
• LogD (pH = 7.4): 2.197745
• Log P: 2.198824
• Molar Refractivity: 94.5867 cm^3
• Polarizability: 31.441984 Å^3
• Polar Surface Area: 77.17 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.84
• LOG S: -2.44
• Polar Surface Area: 77.17 Å^2
• Rotatable Bonds: 5