N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-fluorobenzamide

• ChemBase ID: 754567
• Molecular Formular: C15H16FN3O2
• Molecular Mass: 289.3048432
• Monoisotopic Mass: 289.12265499
• SMILES: n1c(onc1CN(C(=O)c1c(F)cccc1)CC)C1CC1
• Canonical SMILES: CCN(C(=O)c1ccccc1F)Cc1noc(n1)C1CC1
• InChI: InChI=1S/C15H16FN3O2/c1-2-19(15(20)11-5-3-4-6-12(11)16)9-13-17-14(21-18-13)10-7-8-10/h3-6,10H,2,7-9H2,1H3
• InChIKey: YTTQMCHIJAUAED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-fluorobenzamide
• IUPAC Traditional name: N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-fluorobenzamide
• Synonyms: N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-fluorobenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6586616
• LogD (pH = 7.4): 2.6586616
• Log P: 2.6586616
• Molar Refractivity: 76.4741 cm^3
• Polarizability: 27.856926 Å^3
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.61
• LOG S: -3.1
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 4