Home > Compound List > Compound details
127232-41-1 molecular structure
click picture or here to close

1,3-oxazol-5-ylmethanol

ChemBase ID: 87955
Molecular Formular: C4H5NO2
Molecular Mass: 99.088
Monoisotopic Mass: 99.03202841
SMILES and InChIs

SMILES:
n1coc(c1)CO
Canonical SMILES:
OCc1cnco1
InChI:
InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h1,3,6H,2H2
InChIKey:
CRPXMLXYMBLZEP-UHFFFAOYSA-N

Cite this record

CBID:87955 http://www.chembase.cn/molecule-87955.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-oxazol-5-ylmethanol
(1,3-oxazol-5-yl)methanol
IUPAC Traditional name
1,3-oxazol-5-ylmethanol
Synonyms
Oxazole-5-methanol
5-(Hydroxymethyl)-1,3-oxazole 95%
Oxazol-5-ylmethanol
5-(hydroxymethyl)-1,3-oxazole
CAS Number
127232-41-1
MDL Number
MFCD09027272
PubChem SID
162074995
PubChem CID
18758985

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.380927  H Acceptors
H Donor LogD (pH = 5.5) -0.9322128 
LogD (pH = 7.4) -0.93221194  Log P -0.93221146 
Molar Refractivity 23.4608 cm3 Polarizability 8.850662 Å3
Polar Surface Area 46.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
27-28°C expand Show data source
Storage Warning
Irritant/Store at -20°C expand Show data source
Purity
95+% expand Show data source
96% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle