ethyl[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amine

• ChemBase ID: 25091
• Molecular Formular: C7H13N3O
• Molecular Mass: 155.19762
• Monoisotopic Mass: 155.10586205
• SMILES: n1nc(oc1CNCC)CC
• Canonical SMILES: CCNCc1nnc(o1)CC
• InChI: InChI=1S/C7H13N3O/c1-3-6-9-10-7(11-6)5-8-4-2/h8H,3-5H2,1-2H3
• InChIKey: QLNBHJBPDCQEQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amine
• IUPAC Traditional name: ethyl[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amine
• Synonyms: N-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine

Database IDs

• CAS Number: 915924-40-2
• MDL Number: MFCD08691562
• PubChem SID: 160988398
• PubChem CID: 28063874

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9197946
• LogD (pH = 7.4): -0.44169518
• Log P: -0.23339064
• Molar Refractivity: 43.3748 cm^3
• Polarizability: 16.109598 Å^3
• Polar Surface Area: 50.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false