N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2,1-benzoxazole-3-carboxamide

• ChemBase ID: 612370
• Molecular Formular: C18H16N2O2
• Molecular Mass: 292.33184
• Monoisotopic Mass: 292.12117776
• SMILES: c1(C(=O)N(C2Cc3c(C2)cccc3)C)c2c(no1)cccc2
• Canonical SMILES: CN(C(=O)c1onc2c1cccc2)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C18H16N2O2/c1-20(14-10-12-6-2-3-7-13(12)11-14)18(21)17-15-8-4-5-9-16(15)19-22-17/h2-9,14H,10-11H2,1H3
• InChIKey: ZAORLJWLRAGYME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2,1-benzoxazole-3-carboxamide
• IUPAC Traditional name: N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2,1-benzoxazole-3-carboxamide
• Synonyms: N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2,1-benzisoxazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0439017
• LogD (pH = 7.4): 3.0439017
• Log P: 3.0439017
• Molar Refractivity: 84.6749 cm^3
• Polarizability: 32.912533 Å^3
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.05
• LOG S: -3.08
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 2