benzyl[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]methylamine

• ChemBase ID: 817942
• Molecular Formular: C14H17N3O
• Molecular Mass: 243.30428
• Monoisotopic Mass: 243.13716218
• SMILES: n1c(noc1CN(Cc1ccccc1)C)C1CC1
• Canonical SMILES: CN(Cc1ccccc1)Cc1onc(n1)C1CC1
• InChI: InChI=1S/C14H17N3O/c1-17(9-11-5-3-2-4-6-11)10-13-15-14(16-18-13)12-7-8-12/h2-6,12H,7-10H2,1H3
• InChIKey: YXMZBUFXLZIGQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7902062
• LogD (pH = 7.4): 2.7917514
• Log P: 2.8450413
• Molar Refractivity: 71.18 cm^3
• Polarizability: 26.7913 Å^3
• Polar Surface Area: 42.16 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: 1.81
• LOG S: -1.51
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 5