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

• ChemBase ID: 568917
• Molecular Formular: C18H19N5O2
• Molecular Mass: 337.37576
• Monoisotopic Mass: 337.15387487
• SMILES: n1c(noc1C1CC1)c1ccc(C(=O)N(CCn2nccc2)C)cc1
• Canonical SMILES: CN(C(=O)c1ccc(cc1)c1noc(n1)C1CC1)CCn1cccn1
• InChI: InChI=1S/C18H19N5O2/c1-22(11-12-23-10-2-9-19-23)18(24)15-7-3-13(4-8-15)16-20-17(25-21-16)14-5-6-14/h2-4,7-10,14H,5-6,11-12H2,1H3
• InChIKey: LQXSBYHWWFTOIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4583445
• LogD (pH = 7.4): 2.4584754
• Log P: 2.458477
• Molar Refractivity: 115.7893 cm^3
• Polarizability: 35.205715 Å^3
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.55
• LOG S: -2.98
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 6