5-ethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-6-ylmethyl)-1,3-oxazole-4-carboxamide

• ChemBase ID: 435385
• Molecular Formular: C19H21N3O2
• Molecular Mass: 323.38894
• Monoisotopic Mass: 323.16337693
• SMILES: c1(ncoc1CC)C(=O)NCc1cc2c3c([nH]c2cc1)CCCC3
• Canonical SMILES: CCc1ocnc1C(=O)NCc1ccc2c(c1)c1CCCCc1[nH]2
• InChI: InChI=1S/C19H21N3O2/c1-2-17-18(21-11-24-17)19(23)20-10-12-7-8-16-14(9-12)13-5-3-4-6-15(13)22-16/h7-9,11,22H,2-6,10H2,1H3,(H,20,23)
• InChIKey: ZOQZGUPSOGWFCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-6-ylmethyl)-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: 5-ethyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)-1,3-oxazole-4-carboxamide
• Synonyms: 5-ethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-6-ylmethyl)-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.17148
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.1369705
• LogD (pH = 7.4): 3.1369705
• Log P: 3.1369705
• Molar Refractivity: 93.257 cm^3
• Polarizability: 35.86479 Å^3
• Polar Surface Area: 70.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.45
• LOG S: -4.5
• Polar Surface Area: 70.92 Å^2
• Rotatable Bonds: 4