3-chloro-5-cyclopropyl-1,2,4-oxadiazole

• ChemBase ID: 309289
• Molecular Formular: C5H5ClN2O
• Molecular Mass: 144.559
• Monoisotopic Mass: 144.00904047
• SMILES: n1c(onc1Cl)C1CC1
• Canonical SMILES: Clc1noc(n1)C1CC1
• InChI: InChI=1S/C5H5ClN2O/c6-5-7-4(9-8-5)3-1-2-3/h3H,1-2H2
• InChIKey: CROPSQMCIJGGOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-5-cyclopropyl-1,2,4-oxadiazole
• IUPAC Traditional name: 3-chloro-5-cyclopropyl-1,2,4-oxadiazole
• Synonyms: 3-chloro-5-cyclopropyl-1,2,4-oxadiazole

Database IDs

• MDL Number: MFCD22422033

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4626828
• LogD (pH = 7.4): 1.4626828
• Log P: 1.4626828
• Molar Refractivity: 34.0126 cm^3
• Polarizability: 12.329268 Å^3
• Polar Surface Area: 38.92 Å^2