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103788-59-6 molecular structure
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4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzaldehyde

ChemBase ID: 174151
Molecular Formular: C19H17NO3
Molecular Mass: 307.34318
Monoisotopic Mass: 307.12084341
SMILES and InChIs

SMILES:
c1c(ccc(c1)C=O)OCCc1nc(oc1C)c1ccccc1
Canonical SMILES:
O=Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1
InChI:
InChI=1S/C19H17NO3/c1-14-18(20-19(23-14)16-5-3-2-4-6-16)11-12-22-17-9-7-15(13-21)8-10-17/h2-10,13H,11-12H2,1H3
InChIKey:
IPWZPTYWJHXUHD-UHFFFAOYSA-N

Cite this record

CBID:174151 http://www.chembase.cn/molecule-174151.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzaldehyde
IUPAC Traditional name
4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzaldehyde
Synonyms
4-[2-(5-Methyl-2-phenyl-4-oxazolyl)ethoxy]benzaldehyde
4-[2-(5-Methyl-2-phenyloxazol-4-yl)ethoxy]benzaldehyde
CAS Number
103788-59-6
PubChem SID
164230061
PubChem CID
10757106

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M326110 external link Add to cart
PubChem 10757106 external link
Data Source Data ID Price
TRC
M326110 external link Add to cart Please log in.
Data Source Data ID
PubChem 10757106 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.7372463  LogD (pH = 7.4) 3.7372575 
Log P 3.7372575  Molar Refractivity 98.8557 cm3
Polarizability 34.117058 Å3 Polar Surface Area 52.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Apperance
Off-White Solid expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M326110 external link
Muraglitazar intermediate.

REFERENCES

REFERENCES

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  • • Zhang, H., et al.; Bioorg. Med. Chem. Lett., 19, 1451 (2005)
  • • Devasthale, P., et al.: J. Med. Chem., 48, 2248 (2005)
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PATENTS

PATENTS

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INTERNET

INTERNET

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