Home > Compound List > Compound details
119162-46-8 molecular structure
click picture or here to close

3-(3-methoxyphenyl)-1,2-oxazol-5-amine

ChemBase ID: 28561
Molecular Formular: C10H10N2O2
Molecular Mass: 190.1986
Monoisotopic Mass: 190.07422757
SMILES and InChIs

SMILES:
c1c(noc1N)c1cc(OC)ccc1
Canonical SMILES:
COc1cccc(c1)c1noc(c1)N
InChI:
InChI=1S/C10H10N2O2/c1-13-8-4-2-3-7(5-8)9-6-10(11)14-12-9/h2-6H,11H2,1H3
InChIKey:
GFZSBBXGHNWHSF-UHFFFAOYSA-N

Cite this record

CBID:28561 http://www.chembase.cn/molecule-28561.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-amine
IUPAC Traditional name
3-(3-methoxyphenyl)-1,2-oxazol-5-amine
Synonyms
3-(3-Methoxyphenyl)isoxazol-5-amine
3-(5-Amino-1,2-oxazol-3-yl)anisole
5-Amino-3-(3-methoxyphenyl)isoxazole
3-(3-Methoxyphenyl)-5-isoxazolamine
CAS Number
119162-46-8
MDL Number
MFCD07383035
PubChem SID
160991868
PubChem CID
4669099

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4669099 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.766379  H Acceptors
H Donor LogD (pH = 5.5) 1.4734741 
LogD (pH = 7.4) 1.4735596  Log P 1.4735607 
Molar Refractivity 52.6811 cm3 Polarizability 20.912025 Å3
Polar Surface Area 61.28 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
91 - 93 °C expand Show data source
91-93°C expand Show data source
Storage Warning
Harmful/Irritant/Light Sensitive expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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