Home > Compound List > Compound details
543713-42-4 molecular structure
click picture or here to close

[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanamine

ChemBase ID: 308788
Molecular Formular: C11H12N2O2
Molecular Mass: 204.22518
Monoisotopic Mass: 204.08987763
SMILES and InChIs

SMILES:
n1c(cc(o1)CN)c1cc(OC)ccc1
Canonical SMILES:
COc1cccc(c1)c1noc(c1)CN
InChI:
InChI=1S/C11H12N2O2/c1-14-9-4-2-3-8(5-9)11-6-10(7-12)15-13-11/h2-6H,7,12H2,1H3
InChIKey:
BQPRFFNPJCWFRY-UHFFFAOYSA-N

Cite this record

CBID:308788 http://www.chembase.cn/molecule-308788.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanamine
IUPAC Traditional name
[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanamine
Synonyms
1-[3-(3-methoxyphenyl)-5-isoxazolyl]methanamine
CAS Number
543713-42-4
MDL Number
MFCD11215350

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4033963 external link Add to cart
Data Source Data ID Price
ChemBridge
4033963 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) -0.9016934  LogD (pH = 7.4) 0.7698122 
Log P 1.2589653  Molar Refractivity 57.0783 cm3
Polarizability 23.14981 Å3 Polar Surface Area 61.28 Å2

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