4-methyl-2-[4-(4-methyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole

• ChemBase ID: 85717
• Molecular Formular: C26H20N2O2
• Molecular Mass: 392.4492
• Monoisotopic Mass: 392.15247789
• SMILES: n1c(c2ccc(cc2)c2nc(c(o2)c2ccccc2)C)oc(c1C)c1ccccc1
• Canonical SMILES: Cc1nc(oc1c1ccccc1)c1ccc(cc1)c1nc(c(o1)c1ccccc1)C
• InChI: InChI=1S/C26H20N2O2/c1-17-23(19-9-5-3-6-10-19)29-25(27-17)21-13-15-22(16-14-21)26-28-18(2)24(30-26)20-11-7-4-8-12-20/h3-16H,1-2H3
• InChIKey: VLDFXDUAENINOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-[4-(4-methyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole
• IUPAC Traditional name: 4-methyl-2-[4-(4-methyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole
• Synonyms: Dimethyl-POPOP; 1,4-Bis(4-methyl-5-phenyloxazol-2-yl)benzene; 4-methyl-2-[4-(4-methyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole; 1,4-BIS 2-(4-METHYL-5-PHENYLOXAZOLYL)BENZENE; 1, 4-bis-2-(4-methyl-5-phenyloxazolyl) benzene; 1,4-Bis(4-methyl-5-phenyl-2-oxazolyl)benzene; 1,4-双(4-甲基-5-苯基恶唑-2-基)苯; 二甲基-POPOP; 1,4-双(4-甲基-5-苯基-2-噁唑基)苯

Database IDs

• CAS Number: 3073-87-8
• EC Number: 221-349-7
• MDL Number: MFCD00005310
• Beilstein Number: 629905
• PubChem SID: 162072833; 24898462
• PubChem CID: 76491

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.3037553
• LogD (pH = 7.4): 5.3037624
• Log P: 5.3037624
• Molar Refractivity: 136.8904 cm^3
• Polarizability: 48.45954 Å^3
• Polar Surface Area: 52.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 233-235 °C(lit.); 233-235°C; 234-237 °C

Safety Information

• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99.0% (UV); 98%
• Grade: puriss.
• Suitability: suitable for scintillation
• Empirical Formula (Hill Notation): C26H20N2O2

DETAILS

MP Biomedicals - 05204338

MP Biomedicals Rare Chemical collection

Sigma Aldrich - P3879

Application
Dimethyl-POPOP is used as a scintillator reagent 1,2 and included in an extractive scintillating resin in a column matrix 3.

Sigma Aldrich - 222917

Application
Dimethyl-POPOP is used as a scintillator reagent 1,2 and included in an extractive scintillating resin in a column matrix 3.

Sigma Aldrich - 15080

Application
Dimethyl-POPOP is used as a scintillator reagent 1,2 and included in an extractive scintillating resin in a column matrix 3.