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

• ChemBase ID: 273165
• Molecular Formular: C10H16N4O
• Molecular Mass: 208.26024
• Monoisotopic Mass: 208.13241115
• SMILES: n1c(onc1CN1CCNCC1)C1CC1
• Canonical SMILES: N1CCN(CC1)Cc1noc(n1)C1CC1
• InChI: InChI=1S/C10H16N4O/c1-2-8(1)10-12-9(13-15-10)7-14-5-3-11-4-6-14/h8,11H,1-7H2
• InChIKey: VDGGJIGRXFEOTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14679526
• PubChem SID: 164329075
• PubChem CID: 52317102

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.6682885
• LogD (pH = 7.4): -1.2686452
• Log P: 0.5385863
• Molar Refractivity: 57.3228 cm^3
• Polarizability: 21.704027 Å^3
• Polar Surface Area: 54.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.06

Product Information

• Purity: 95%