Home > Compound List > Compound details
MFCD08056290 molecular structure
click picture or here to close

[5-methyl-2-(pyridin-3-yl)-1,3-oxazol-4-yl]methanamine

ChemBase ID: 90835
Molecular Formular: C10H11N3O
Molecular Mass: 189.21384
Monoisotopic Mass: 189.09021199
SMILES and InChIs

SMILES:
n1c(c2cnccc2)oc(c1CN)C
Canonical SMILES:
NCc1nc(oc1C)c1cccnc1
InChI:
InChI=1S/C10H11N3O/c1-7-9(5-11)13-10(14-7)8-3-2-4-12-6-8/h2-4,6H,5,11H2,1H3
InChIKey:
VUABIAQINWSQDQ-UHFFFAOYSA-N

Cite this record

CBID:90835 http://www.chembase.cn/molecule-90835.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[5-methyl-2-(pyridin-3-yl)-1,3-oxazol-4-yl]methanamine
IUPAC Traditional name
[5-methyl-2-(pyridin-3-yl)-1,3-oxazol-4-yl]methanamine
Synonyms
4-Aminomethyl-5-methyl-2-(pyridin-3-yl)-1,3-oxazole
1-(5-Methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)methylamine 95%
MDL Number
MFCD08056290
PubChem SID
162077544
PubChem CID
26967208

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR6205 external link Add to cart Please log in.
Data Source Data ID
PubChem 26967208 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.353255  LogD (pH = 7.4) -0.66103643 
Log P 0.12903666  Molar Refractivity 62.813 cm3
Polarizability 20.817461 Å3 Polar Surface Area 64.94 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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