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885273-96-1 molecular structure
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[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methanol

ChemBase ID: 811009
Molecular Formular: C11H11NO3
Molecular Mass: 205.20994
Monoisotopic Mass: 205.07389322
SMILES and InChIs

SMILES:
C(O)c1nc(oc1)c1c(cccc1)OC
Canonical SMILES:
COc1ccccc1c1occ(n1)CO
InChI:
InChI=1S/C11H11NO3/c1-14-10-5-3-2-4-9(10)11-12-8(6-13)7-15-11/h2-5,7,13H,6H2,1H3
InChIKey:
JRMGCLPKJFGBAX-UHFFFAOYSA-N

Cite this record

CBID:811009 http://www.chembase.cn/molecule-811009.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methanol
IUPAC Traditional name
[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methanol
Synonyms
[2-(2-METHOXY-PHENYL)-OXAZOL-4-YL]-METHANOL
CAS Number
885273-96-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O30006 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O30006 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.713212  H Acceptors
H Donor LogD (pH = 5.5) 1.0963581 
LogD (pH = 7.4) 1.0963581  Log P 1.0963583 
Molar Refractivity 64.6259 cm3 Polarizability 21.566576 Å3
Polar Surface Area 55.49 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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