5-{[3-(1-benzofuran-2-yl)-1H-pyrazol-1-yl]methyl}-3-(cyclopropylmethyl)-1,2,4-oxadiazole

• ChemBase ID: 624041
• Molecular Formular: C18H16N4O2
• Molecular Mass: 320.34524
• Monoisotopic Mass: 320.12732577
• SMILES: c1(c2nn(Cc3nc(no3)CC3CC3)cc2)oc2c(c1)cccc2
• Canonical SMILES: c1ccc2c(c1)oc(c2)c1ccn(n1)Cc1onc(n1)CC1CC1
• InChI: InChI=1S/C18H16N4O2/c1-2-4-15-13(3-1)10-16(23-15)14-7-8-22(20-14)11-18-19-17(21-24-18)9-12-5-6-12/h1-4,7-8,10,12H,5-6,9,11H2
• InChIKey: BNGABECNWAFHJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{[3-(1-benzofuran-2-yl)-1H-pyrazol-1-yl]methyl}-3-(cyclopropylmethyl)-1,2,4-oxadiazole
• IUPAC Traditional name: 5-{[3-(1-benzofuran-2-yl)pyrazol-1-yl]methyl}-3-(cyclopropylmethyl)-1,2,4-oxadiazole
• Synonyms: 5-{[3-(1-benzofuran-2-yl)-1H-pyrazol-1-yl]methyl}-3-(cyclopropylmethyl)-1,2,4-oxadiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.6422508
• LogD (pH = 7.4): 3.6422565
• Log P: 3.6422567
• Molar Refractivity: 99.5986 cm^3
• Polarizability: 35.499405 Å^3
• Polar Surface Area: 69.88 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: 3.27
• LOG S: -4.33
• Polar Surface Area: 69.88 Å^2
• Rotatable Bonds: 5