N-cyclopropyl-2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}-N-propyl-1,3-oxazole-4-carboxamide

• ChemBase ID: 499264
• Molecular Formular: C19H21N3O3S
• Molecular Mass: 371.45334
• Monoisotopic Mass: 371.13036255
• SMILES: c1(C(=O)N(C2CC2)CCC)nc(oc1)COc1cc2nc(sc2cc1)C
• Canonical SMILES: CCCN(C(=O)c1coc(n1)COc1ccc2c(c1)nc(s2)C)C1CC1
• InChI: InChI=1S/C19H21N3O3S/c1-3-8-22(13-4-5-13)19(23)16-10-25-18(21-16)11-24-14-6-7-17-15(9-14)20-12(2)26-17/h6-7,9-10,13H,3-5,8,11H2,1-2H3
• InChIKey: LPEMBFQDWJEAKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}-N-propyl-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: N-cyclopropyl-2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}-N-propyl-1,3-oxazole-4-carboxamide
• Synonyms: N-cyclopropyl-2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}-N-propyl-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8439648
• LogD (pH = 7.4): 2.8470938
• Log P: 2.8471339
• Molar Refractivity: 97.6652 cm^3
• Polarizability: 38.64388 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.25
• LOG S: -2.98
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 7