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248924-06-3 molecular structure
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(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanol

ChemBase ID: 101116
Molecular Formular: C11H11NO2
Molecular Mass: 189.21054
Monoisotopic Mass: 189.0789786
SMILES and InChIs

SMILES:
n1c(oc(c1C)CO)c1ccccc1
Canonical SMILES:
OCc1oc(nc1C)c1ccccc1
InChI:
InChI=1S/C11H11NO2/c1-8-10(7-13)14-11(12-8)9-5-3-2-4-6-9/h2-6,13H,7H2,1H3
InChIKey:
AYYRFLIHPSSQMI-UHFFFAOYSA-N

Cite this record

CBID:101116 http://www.chembase.cn/molecule-101116.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanol
IUPAC Traditional name
(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanol
Synonyms
(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanol
CAS Number
248924-06-3
MDL Number
MFCD11055262
PubChem SID
162086719
PubChem CID
23438974

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Maybridge
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Data Source Data ID
PubChem 23438974 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.560591  H Acceptors
H Donor LogD (pH = 5.5) 1.2239277 
LogD (pH = 7.4) 1.2239287  Log P 1.2239289 
Molar Refractivity 63.1539 cm3 Polarizability 20.802723 Å3
Polar Surface Area 46.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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