Home > Compound List > Compound details
MFCD14661381 molecular structure
click picture or here to close

2-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy}acetic acid

ChemBase ID: 270842
Molecular Formular: C8H12N2O5
Molecular Mass: 216.19128
Monoisotopic Mass: 216.07462149
SMILES and InChIs

SMILES:
n1c(onc1CCOC)COCC(=O)O
Canonical SMILES:
COCCc1noc(n1)COCC(=O)O
InChI:
InChI=1S/C8H12N2O5/c1-13-3-2-6-9-7(15-10-6)4-14-5-8(11)12/h2-5H2,1H3,(H,11,12)
InChIKey:
FDLRSLPTGSLDOE-UHFFFAOYSA-N

Cite this record

CBID:270842 http://www.chembase.cn/molecule-270842.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy}acetic acid
IUPAC Traditional name
{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy}acetic acid
Synonyms
2-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy}acetic acid
MDL Number
MFCD14661381
PubChem SID
164326752
PubChem CID
50989300

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-69978 external link Add to cart Please log in.
Data Source Data ID
PubChem 50989300 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.2675085  H Acceptors
H Donor LogD (pH = 5.5) -2.4444315 
LogD (pH = 7.4) -3.7093036  Log P -0.22802268 
Molar Refractivity 49.43 cm3 Polarizability 18.589153 Å3
Polar Surface Area 94.68 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-1.551 expand Show data source
Purity
95% 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