[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methanamine hydrochloride

• ChemBase ID: 236198
• Molecular Formular: C5H10ClN3O2
• Molecular Mass: 179.6048
• Monoisotopic Mass: 179.04615426
• SMILES: n1nc(oc1COC)CN.Cl
• Canonical SMILES: COCc1nnc(o1)CN.Cl
• InChI: InChI=1S/C5H9N3O2.ClH/c1-9-3-5-8-7-4(2-6)10-5;/h2-3,6H2,1H3;1H
• InChIKey: QAFZLJPAEXAGNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methanamine hydrochloride
• IUPAC Traditional name: [5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methanamine hydrochloride
• Synonyms: [5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methanamine hydrochloride

Database IDs

• MDL Number: MFCD16653308
• PubChem SID: 164292108
• PubChem CID: 71755656

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.510398
• LogD (pH = 7.4): -2.0801206
• Log P: -1.8974364
• Molar Refractivity: 35.6781 cm^3
• Polarizability: 13.271732 Å^3
• Polar Surface Area: 74.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.656

Product Information

• Purity: 95%