4-{5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl}-N,N-diethylaniline

• ChemBase ID: 87762
• Molecular Formular: C22H28N4O
• Molecular Mass: 364.48392
• Monoisotopic Mass: 364.22631154
• SMILES: n1c(c2ccc(cc2)N(CC)CC)oc(n1)c1ccc(cc1)N(CC)CC
• Canonical SMILES: CCN(c1ccc(cc1)c1nnc(o1)c1ccc(cc1)N(CC)CC)CC
• InChI: InChI=1S/C22H28N4O/c1-5-25(6-2)19-13-9-17(10-14-19)21-23-24-22(27-21)18-11-15-20(16-12-18)26(7-3)8-4/h9-16H,5-8H2,1-4H3
• InChIKey: UZGVMZRBRRYLIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl}-N,N-diethylaniline
• IUPAC Traditional name: 4-{5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl}-N,N-diethylaniline
• Synonyms: 2,5-Bis(diethylamino)phenyl-1,3,4-oxadiazole; 2,5-Bis(4-diethylaminophenyl)-1,3,4-oxadiazole 98%; 2,5-双(二乙基氨基)苯基-1,3,4-二唑

Database IDs

• CAS Number: 1679-98-7
• EC Number: 216-851-8
• MDL Number: MFCD00010070; MFCD00798595
• Beilstein Number: 569499
• PubChem SID: 162074802
• PubChem CID: 74301

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.609927
• LogD (pH = 7.4): 4.647062
• Log P: 4.6475453
• Molar Refractivity: 135.0384 cm^3
• Polarizability: 43.030327 Å^3
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 148-151°C

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 98%