N-methyl-5-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide

• ChemBase ID: 440899
• Molecular Formular: C18H19N3O4S
• Molecular Mass: 373.42616
• Monoisotopic Mass: 373.1096271
• SMILES: c1(C(=O)N(C2CCOC2)C)noc(c1)COc1cc2nc(sc2cc1)C
• Canonical SMILES: Cc1sc2c(n1)cc(cc2)OCc1onc(c1)C(=O)N(C1COCC1)C
• InChI: InChI=1S/C18H19N3O4S/c1-11-19-15-7-13(3-4-17(15)26-11)24-10-14-8-16(20-25-14)18(22)21(2)12-5-6-23-9-12/h3-4,7-8,12H,5-6,9-10H2,1-2H3
• InChIKey: YQLRBIKFCHRXIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-5-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-methyl-5-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide
• Synonyms: N-methyl-5-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}-N-(tetrahydro-3-furanyl)-3-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.6697433
• LogD (pH = 7.4): 1.6729134
• Log P: 1.672954
• Molar Refractivity: 96.0746 cm^3
• Polarizability: 37.53376 Å^3
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.86
• LOG S: -3.06
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 5