(cyclopropylmethyl)[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propylamine

• ChemBase ID: 442689
• Molecular Formular: C16H21N3O
• Molecular Mass: 271.35744
• Monoisotopic Mass: 271.16846231
• SMILES: n1c(noc1CN(CC1CC1)CCC)c1ccccc1
• Canonical SMILES: CCCN(Cc1onc(n1)c1ccccc1)CC1CC1
• InChI: InChI=1S/C16H21N3O/c1-2-10-19(11-13-8-9-13)12-15-17-16(18-20-15)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3
• InChIKey: UWNOUHUYXGDWKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclopropylmethyl)[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propylamine
• IUPAC Traditional name: (cyclopropylmethyl)[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propylamine
• Synonyms: (cyclopropylmethyl)[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0267358
• LogD (pH = 7.4): 2.8152652
• Log P: 3.8437953
• Molar Refractivity: 91.1695 cm^3
• Polarizability: 31.250454 Å^3
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.46
• LOG S: -2.65
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 5