Home > Compound List > Compound details
313527-38-7 molecular structure
click picture or here to close

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

ChemBase ID: 12914
Molecular Formular: C14H12N2O2
Molecular Mass: 240.25728
Monoisotopic Mass: 240.08987763
SMILES and InChIs

SMILES:
c1c(cc2c(c1)oc(n2)c1cccc(c1)OC)N
Canonical SMILES:
COc1cccc(c1)c1nc2c(o1)ccc(c2)N
InChI:
InChI=1S/C14H12N2O2/c1-17-11-4-2-3-9(7-11)14-16-12-8-10(15)5-6-13(12)18-14/h2-8H,15H2,1H3
InChIKey:
MUPPQVXJEWJYFB-UHFFFAOYSA-N

Cite this record

CBID:12914 http://www.chembase.cn/molecule-12914.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3-methoxyphenyl)-1,3-benzoxazol-5-amine
IUPAC Traditional name
2-(3-methoxyphenyl)-1,3-benzoxazol-5-amine
Synonyms
2-(3-methoxyphenyl)benzo[d]oxazol-5-amine
2-(3-Methoxy-phenyl)-benzooxazol-5-ylamine
CAS Number
313527-38-7
MDL Number
MFCD00991832
PubChem SID
160976221
PubChem CID
736011

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 736011 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3571486  LogD (pH = 7.4) 2.3580272 
Log P 2.3580384  Molar Refractivity 78.9883 cm3
Polarizability 27.777378 Å3 Polar Surface Area 61.28 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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