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

• ChemBase ID: 255965
• Molecular Formular: C10H13N3O2S
• Molecular Mass: 239.29412
• Monoisotopic Mass: 239.07284767
• SMILES: c1(nnc(o1)CNCCOC)c1sccc1
• Canonical SMILES: COCCNCc1nnc(o1)c1cccs1
• InChI: InChI=1S/C10H13N3O2S/c1-14-5-4-11-7-9-12-13-10(15-9)8-3-2-6-16-8/h2-3,6,11H,4-5,7H2,1H3
• InChIKey: XLNRSGGKHIRGIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)({[5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl})amine
• IUPAC Traditional name: (2-methoxyethyl)({[5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl})amine
• Synonyms: N-(2-methoxyethyl)-N-[(5-thien-2-yl-1,3,4-oxadiazol-2-yl)methyl]amine

Database IDs

• MDL Number: MFCD06655073
• PubChem SID: 164311875
• PubChem CID: 3752402

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1112297
• LogD (pH = 7.4): 0.21094613
• Log P: 0.3411436
• Molar Refractivity: 72.5936 cm^3
• Polarizability: 24.016003 Å^3
• Polar Surface Area: 60.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 145 - 152°C
• Hydrophobicity(logP): -0.137

Product Information

• Purity: 95%