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123320-44-5 molecular structure
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[3-(benzyloxy)-1,2-oxazol-5-yl]methanol

ChemBase ID: 292646
Molecular Formular: C11H11NO3
Molecular Mass: 205.20994
Monoisotopic Mass: 205.07389322
SMILES and InChIs

SMILES:
OCc1cc(OCc2ccccc2)no1
Canonical SMILES:
OCc1onc(c1)OCc1ccccc1
InChI:
InChI=1S/C11H11NO3/c13-7-10-6-11(12-15-10)14-8-9-4-2-1-3-5-9/h1-6,13H,7-8H2
InChIKey:
HHYMUVTUFJYDSQ-UHFFFAOYSA-N

Cite this record

CBID:292646 http://www.chembase.cn/molecule-292646.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[3-(benzyloxy)-1,2-oxazol-5-yl]methanol
IUPAC Traditional name
[3-(benzyloxy)-1,2-oxazol-5-yl]methanol
Synonyms
(3-(Benzyloxy)isoxazol-5-yl)methanol
CAS Number
123320-44-5
PubChem SID
180678177
PubChem CID
5324208

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241504 Please log in.
Data Source Data ID
PubChem 5324208 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Log P 1.6517019  Molar Refractivity 55.5827 cm3
Polarizability 20.895668 Å3 Polar Surface Area 55.49 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 13.172842  H Acceptors
H Donor LogD (pH = 5.5) 1.6517019 
LogD (pH = 7.4) 1.6517012 

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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