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885273-76-7 molecular structure
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[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanol

ChemBase ID: 810924
Molecular Formular: C11H11NO3
Molecular Mass: 205.20994
Monoisotopic Mass: 205.07389322
SMILES and InChIs

SMILES:
C(O)c1nc(oc1)c1ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)c1occ(n1)CO
InChI:
InChI=1S/C11H11NO3/c1-14-10-4-2-8(3-5-10)11-12-9(6-13)7-15-11/h2-5,7,13H,6H2,1H3
InChIKey:
FMUXMVIMMZYINZ-UHFFFAOYSA-N

Cite this record

CBID:810924 http://www.chembase.cn/molecule-810924.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanol
IUPAC Traditional name
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanol
Synonyms
[2-(4-METHOXY-PHENYL)-OXAZOL-4-YL]-METHANOL
CAS Number
885273-76-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29918 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O29918 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.732616  H Acceptors
H Donor LogD (pH = 5.5) 1.0963577 
LogD (pH = 7.4) 1.0963581  Log P 1.0963583 
Molar Refractivity 64.6259 cm3 Polarizability 21.559746 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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