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

• ChemBase ID: 361922
• Molecular Formular: C24H23N3O3S
• Molecular Mass: 433.52272
• Monoisotopic Mass: 433.14601261
• SMILES: c1(C(=O)N(C2c3c(CCC2)cccc3)C)noc(c1)COc1cc2nc(sc2cc1)C
• Canonical SMILES: Cc1sc2c(n1)cc(cc2)OCc1onc(c1)C(=O)N(C1CCCc2c1cccc2)C
• InChI: InChI=1S/C24H23N3O3S/c1-15-25-20-12-17(10-11-23(20)31-15)29-14-18-13-21(26-30-18)24(28)27(2)22-9-5-7-16-6-3-4-8-19(16)22/h3-4,6,8,10-13,22H,5,7,9,14H2,1-2H3
• InChIKey: UMRFRHZXTODTJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.481783
• LogD (pH = 7.4): 4.484953
• Log P: 4.4849935
• Molar Refractivity: 119.2589 cm^3
• Polarizability: 46.302143 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.77
• LOG S: -5.98
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 5