1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine

• ChemBase ID: 267551
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: n1c(noc1C1CC1)C1(N)CCCC1
• Canonical SMILES: NC1(CCCC1)c1noc(n1)C1CC1
• InChI: InChI=1S/C10H15N3O/c11-10(5-1-2-6-10)9-12-8(14-13-9)7-3-4-7/h7H,1-6,11H2
• InChIKey: OAQOXCSTPHYAOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
• IUPAC Traditional name: 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
• Synonyms: 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine

Database IDs

• MDL Number: MFCD12138521
• PubChem SID: 164323461
• PubChem CID: 43559723

CALCULATED PROPERTIES

• Log P: 1.6287651
• Molar Refractivity: 52.9511 cm^3
• Polarizability: 20.174221 Å^3
• Polar Surface Area: 64.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.8691795
• LogD (pH = 7.4): 0.8597132

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.621

Product Information

• Purity: 95%