{[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl}(propyl)amine

• ChemBase ID: 237220
• Molecular Formular: C10H13N3O2
• Molecular Mass: 207.22912
• Monoisotopic Mass: 207.10077667
• SMILES: c1(nnc(o1)CNCCC)c1occc1
• Canonical SMILES: CCCNCc1nnc(o1)c1ccco1
• InChI: InChI=1S/C10H13N3O2/c1-2-5-11-7-9-12-13-10(15-9)8-4-3-6-14-8/h3-4,6,11H,2,5,7H2,1H3
• InChIKey: RQGUURBNBHRLMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl}(propyl)amine
• IUPAC Traditional name: {[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl}(propyl)amine
• Synonyms: N-{[5-(2-furyl)-1,3,4-oxadiazol-2-yl]methyl}-N-propylamine

Database IDs

• MDL Number: MFCD06655070
• PubChem SID: 164293130
• PubChem CID: 5008072

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6100646
• LogD (pH = 7.4): 0.07780296
• Log P: 0.5505481
• Molar Refractivity: 66.3237 cm^3
• Polarizability: 21.505175 Å^3
• Polar Surface Area: 64.09 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.354

Product Information

• Purity: 95%