[(dimethyl-1,2-oxazol-4-yl)methyl](methyl)(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amine

• ChemBase ID: 681264
• Molecular Formular: C15H21N3OS
• Molecular Mass: 291.41174
• Monoisotopic Mass: 291.14053331
• SMILES: c1(c(onc1C)C)CN(Cc1nc2c(s1)CCCC2)C
• Canonical SMILES: CN(Cc1c(C)onc1C)Cc1nc2c(s1)CCCC2
• InChI: InChI=1S/C15H21N3OS/c1-10-12(11(2)19-17-10)8-18(3)9-15-16-13-6-4-5-7-14(13)20-15/h4-9H2,1-3H3
• InChIKey: LFCXIZKFDLQQEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(dimethyl-1,2-oxazol-4-yl)methyl](methyl)(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amine
• IUPAC Traditional name: [(dimethyl-1,2-oxazol-4-yl)methyl](methyl)(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amine
• Synonyms: 1-(3,5-dimethylisoxazol-4-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.538019
• LogD (pH = 7.4): 2.4798658
• Log P: 2.5251615
• Molar Refractivity: 81.9284 cm^3
• Polarizability: 30.73996 Å^3
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.54
• LOG S: -2.48
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 4