ethyl({[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl})(1,3-thiazol-4-ylmethyl)amine

• ChemBase ID: 412144
• Molecular Formular: C11H16N4O2S
• Molecular Mass: 268.33534
• Monoisotopic Mass: 268.09939677
• SMILES: n1c(onc1COC)CN(Cc1ncsc1)CC
• Canonical SMILES: COCc1noc(n1)CN(Cc1cscn1)CC
• InChI: InChI=1S/C11H16N4O2S/c1-3-15(4-9-7-18-8-12-9)5-11-13-10(6-16-2)14-17-11/h7-8H,3-6H2,1-2H3
• InChIKey: IAGKWKRSALUXHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.8621565
• LogD (pH = 7.4): 0.9620468
• Log P: 0.9634813
• Molar Refractivity: 69.669 cm^3
• Polarizability: 26.15435 Å^3
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.44
• LOG S: -0.53
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 7