[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl](methyl){[1-(prop-2-en-1-yl)-1H-pyrazol-4-yl]methyl}amine

• ChemBase ID: 861531
• Molecular Formular: C16H23N5O
• Molecular Mass: 301.38672
• Monoisotopic Mass: 301.19026038
• SMILES: n1c(noc1C1CCCC1)CN(Cc1cn(nc1)CC=C)C
• Canonical SMILES: C=CCn1ncc(c1)CN(Cc1noc(n1)C1CCCC1)C
• InChI: InChI=1S/C16H23N5O/c1-3-8-21-11-13(9-17-21)10-20(2)12-15-18-16(22-19-15)14-6-4-5-7-14/h3,9,11,14H,1,4-8,10,12H2,2H3
• InChIKey: KPXZHSMORUJILG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl](methyl){[1-(prop-2-en-1-yl)-1H-pyrazol-4-yl]methyl}amine
• IUPAC Traditional name: [(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl](methyl){[1-(prop-2-en-1-yl)pyrazol-4-yl]methyl}amine
• Synonyms: 1-(1-allyl-1H-pyrazol-4-yl)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylmethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6219363
• LogD (pH = 7.4): 2.7570682
• Log P: 2.7590942
• Molar Refractivity: 98.4481 cm^3
• Polarizability: 32.57122 Å^3
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.11
• LOG S: -2.19
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 7