3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-oxo-2,3-dihydro-1H-indol-5-yl)urea

• ChemBase ID: 785305
• Molecular Formular: C18H21N5O3
• Molecular Mass: 355.39104
• Monoisotopic Mass: 355.16443956
• SMILES: n1c(noc1CNC(=O)Nc1cc2c(NC(=O)C2)cc1)C1CCCCC1
• Canonical SMILES: O=C(Nc1ccc2c(c1)CC(=O)N2)NCc1onc(n1)C1CCCCC1
• InChI: InChI=1S/C18H21N5O3/c24-15-9-12-8-13(6-7-14(12)21-15)20-18(25)19-10-16-22-17(23-26-16)11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,21,24)(H2,19,20,25)
• InChIKey: FZOMURURNDXANR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-oxo-2,3-dihydro-1H-indol-5-yl)urea
• IUPAC Traditional name: 3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-oxo-1,3-dihydroindol-5-yl)urea
• Synonyms: N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-N'-(2-oxo-2,3-dihydro-1H-indol-5-yl)urea

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.005378
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 2.6369622
• LogD (pH = 7.4): 2.6369612
• Log P: 2.6369622
• Molar Refractivity: 98.4036 cm^3
• Polarizability: 35.504505 Å^3
• Polar Surface Area: 109.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: 1.39
• LOG S: -2.98
• Polar Surface Area: 109.15 Å^2
• Rotatable Bonds: 4