3-(3-propyl-1,2,4-oxadiazol-5-yl)piperidine

• ChemBase ID: 297663
• Molecular Formular: C10H17N3O
• Molecular Mass: 195.26148
• Monoisotopic Mass: 195.13716218
• SMILES: CCCc1nc(on1)C1CCCNC1
• Canonical SMILES: CCCc1noc(n1)C1CCCNC1
• InChI: InChI=1S/C10H17N3O/c1-2-4-9-12-10(14-13-9)8-5-3-6-11-7-8/h8,11H,2-7H2,1H3
• InChIKey: KKMTUNLAPUDTAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-propyl-1,2,4-oxadiazol-5-yl)piperidine
• IUPAC Traditional name: 3-(3-propyl-1,2,4-oxadiazol-5-yl)piperidine
• Synonyms: 3-(3-n-Propyl-1,2,4-oxadiazol-5-yl)piperidine; 3-(3-丙基-1,2,4-二唑-5-基)哌啶

Database IDs

• CAS Number: 902837-18-7
• MDL Number: MFCD08061046
• PubChem SID: 180683194
• PubChem CID: 24208850

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4900036
• LogD (pH = 7.4): -0.15594593
• Log P: 1.745018
• Molar Refractivity: 55.2447 cm^3
• Polarizability: 20.818504 Å^3
• Polar Surface Area: 50.95 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%