Home > Compound List > Compound details
141567-36-4 molecular structure
click picture or here to close

(2-methyl-1,3-oxazol-5-yl)methanamine

ChemBase ID: 815656
Molecular Formular: C5H8N2O
Molecular Mass: 112.12982
Monoisotopic Mass: 112.06366289
SMILES and InChIs

SMILES:
C(N)c1oc(nc1)C
Canonical SMILES:
Cc1ncc(o1)CN
InChI:
InChI=1S/C5H8N2O/c1-4-7-3-5(2-6)8-4/h3H,2,6H2,1H3
InChIKey:
FQEVXKSBFMCYTI-UHFFFAOYSA-N

Cite this record

CBID:815656 http://www.chembase.cn/molecule-815656.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-methyl-1,3-oxazol-5-yl)methanamine
IUPAC Traditional name
(2-methyl-1,3-oxazol-5-yl)methanamine
Synonyms
(2-methyloxazol-5-yl)methanamine
CAS Number
141567-36-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O38022 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O38022 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.1766412  LogD (pH = 7.4) -1.4883741 
Log P -0.9160285  Molar Refractivity 29.559 cm3
Polarizability 11.451565 Å3 Polar Surface Area 52.05 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

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