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1126636-40-5 molecular structure
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4-[4-(trifluoromethyl)phenyl]-1,3-oxazole

ChemBase ID: 291845
Molecular Formular: C10H6F3NO
Molecular Mass: 213.1559496
Monoisotopic Mass: 213.04014848
SMILES and InChIs

SMILES:
FC(F)(F)c1ccc(cc1)c1cocn1
Canonical SMILES:
FC(c1ccc(cc1)c1cocn1)(F)F
InChI:
InChI=1S/C10H6F3NO/c11-10(12,13)8-3-1-7(2-4-8)9-5-15-6-14-9/h1-6H
InChIKey:
BTZWCQXESYHHBK-UHFFFAOYSA-N

Cite this record

CBID:291845 http://www.chembase.cn/molecule-291845.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[4-(trifluoromethyl)phenyl]-1,3-oxazole
IUPAC Traditional name
4-[4-(trifluoromethyl)phenyl]-1,3-oxazole
Synonyms
4-(4-(Trifluoromethyl)phenyl)oxazole
CAS Number
1126636-40-5
MDL Number
MFCD11845067
PubChem SID
180677376
PubChem CID
23198119

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD235047 Please log in.
Data Source Data ID
PubChem 23198119 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8260608  LogD (pH = 7.4) 2.8260612 
Log P 2.8260615  Molar Refractivity 47.5053 cm3
Polarizability 18.333185 Å3 Polar Surface Area 26.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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