N-methyl-2-(3-methyl-1,2-oxazol-5-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide

• ChemBase ID: 402403
• Molecular Formular: C17H17N3O2S
• Molecular Mass: 327.40078
• Monoisotopic Mass: 327.1041478
• SMILES: n1c(scc1CN(C(=O)Cc1onc(c1)C)C)c1ccccc1
• Canonical SMILES: O=C(N(Cc1csc(n1)c1ccccc1)C)Cc1onc(c1)C
• InChI: InChI=1S/C17H17N3O2S/c1-12-8-15(22-19-12)9-16(21)20(2)10-14-11-23-17(18-14)13-6-4-3-5-7-13/h3-8,11H,9-10H2,1-2H3
• InChIKey: HYOYRCFFHXWHPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(3-methyl-1,2-oxazol-5-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
• IUPAC Traditional name: N-methyl-2-(3-methyl-1,2-oxazol-5-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
• Synonyms: N-methyl-2-(3-methyl-5-isoxazolyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1567156
• LogD (pH = 7.4): 2.156827
• Log P: 2.1568284
• Molar Refractivity: 99.2926 cm^3
• Polarizability: 34.294937 Å^3
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.11
• LOG S: -3.39
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 5