N-methyl-N-[(5-{[methyl(1,2-oxazol-3-ylmethyl)amino]methyl}furan-2-yl)methyl]methanesulfonamide

• ChemBase ID: 643442
• Molecular Formular: C13H19N3O4S
• Molecular Mass: 313.37266
• Monoisotopic Mass: 313.1096271
• SMILES: S(=O)(=O)(N(Cc1oc(cc1)CN(Cc1nocc1)C)C)C
• Canonical SMILES: CN(Cc1ccc(o1)CN(S(=O)(=O)C)C)Cc1nocc1
• InChI: InChI=1S/C13H19N3O4S/c1-15(8-11-6-7-19-14-11)9-12-4-5-13(20-12)10-16(2)21(3,17)18/h4-7H,8-10H2,1-3H3
• InChIKey: SUTFHMWHFRSCEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(5-{[methyl(1,2-oxazol-3-ylmethyl)amino]methyl}furan-2-yl)methyl]methanesulfonamide
• IUPAC Traditional name: N-methyl-N-[(5-{[methyl(1,2-oxazol-3-ylmethyl)amino]methyl}furan-2-yl)methyl]methanesulfonamide
• Synonyms: N-[(5-{[(isoxazol-3-ylmethyl)(methyl)amino]methyl}-2-furyl)methyl]-N-methylmethanesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.0429248
• LogD (pH = 7.4): -0.29737952
• Log P: -0.27128932
• Molar Refractivity: 78.8164 cm^3
• Polarizability: 30.74005 Å^3
• Polar Surface Area: 79.79 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: 0.26
• LOG S: -2.01
• Polar Surface Area: 79.79 Å^2
• Rotatable Bonds: 6