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MFCD11101415 molecular structure
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(2-methyl-1,3-oxazol-5-yl)methanol

ChemBase ID: 90292
Molecular Formular: C5H7NO2
Molecular Mass: 113.11458
Monoisotopic Mass: 113.04767847
SMILES and InChIs

SMILES:
o1c(ncc1CO)C
Canonical SMILES:
Cc1ncc(o1)CO
InChI:
InChI=1S/C5H7NO2/c1-4-6-2-5(3-7)8-4/h2,7H,3H2,1H3
InChIKey:
RLZPINFKUMSNAK-UHFFFAOYSA-N

Cite this record

CBID:90292 http://www.chembase.cn/molecule-90292.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-methyl-1,3-oxazol-5-yl)methanol
IUPAC Traditional name
(2-methyl-1,3-oxazol-5-yl)methanol
Synonyms
(2-Methyl-1,3-oxazol-5-yl)methanol
5-(Hydroxymethyl)-2-methyl-1,3-oxazole
MDL Number
MFCD11101415
PubChem SID
162077116
PubChem CID
44119608

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR59863 external link Add to cart Please log in.
Data Source Data ID
PubChem 44119608 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.485229  H Acceptors
H Donor LogD (pH = 5.5) -0.80915743 
LogD (pH = 7.4) -0.8091472  Log P -0.8091467 
Molar Refractivity 27.9015 cm3 Polarizability 10.595042 Å3
Polar Surface Area 46.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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