N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine

• ChemBase ID: 284351
• Molecular Formular: C10H18N4O
• Molecular Mass: 210.27612
• Monoisotopic Mass: 210.14806122
• SMILES: n1c(noc1CC)CN(C1CCNC1)C
• Canonical SMILES: CCc1onc(n1)CN(C1CNCC1)C
• InChI: InChI=1S/C10H18N4O/c1-3-10-12-9(13-15-10)7-14(2)8-4-5-11-6-8/h8,11H,3-7H2,1-2H3
• InChIKey: LMROLUHKNWOLGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
• IUPAC Traditional name: N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
• Synonyms: N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine

Database IDs

• MDL Number: MFCD18325876
• PubChem SID: 180669882
• PubChem CID: 63301833

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.7608597
• LogD (pH = 7.4): -2.464196
• Log P: 0.606125
• Molar Refractivity: 59.0861 cm^3
• Polarizability: 22.42384 Å^3
• Polar Surface Area: 54.19 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.042

Product Information

• Purity: 95%