Home > Compound List > Compound details
599201-51-1 molecular structure
click picture or here to close

2-methoxy-5-(5-phenyl-1,3-benzoxazol-2-yl)aniline

ChemBase ID: 160234
Molecular Formular: C20H16N2O2
Molecular Mass: 316.35324
Monoisotopic Mass: 316.12117776
SMILES and InChIs

SMILES:
c1(c(ccc(c1)c1nc2c(o1)ccc(c2)c1ccccc1)OC)N
Canonical SMILES:
COc1ccc(cc1N)c1nc2c(o1)ccc(c2)c1ccccc1
InChI:
InChI=1S/C20H16N2O2/c1-23-18-9-8-15(11-16(18)21)20-22-17-12-14(7-10-19(17)24-20)13-5-3-2-4-6-13/h2-12H,21H2,1H3
InChIKey:
ORQCVARUEKAYEL-UHFFFAOYSA-N

Cite this record

CBID:160234 http://www.chembase.cn/molecule-160234.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methoxy-5-(5-phenyl-1,3-benzoxazol-2-yl)aniline
IUPAC Traditional name
2-methoxy-5-(5-phenyl-1,3-benzoxazol-2-yl)aniline
Synonyms
2-(3-Amino-4-methoxyphenyl)-5-phenylbenzoxazole
2-Methoxy-5-(5-phenyl-2-benzoxazolyl)benzenamine
3'-Amino-4'-methoxy-phenyl-2-(p-phenyl)-benzoxazole
CAS Number
599201-51-1
PubChem SID
162254369
PubChem CID
9973058

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A611955 external link Add to cart
PubChem 9973058 external link
Data Source Data ID Price
TRC
A611955 external link Add to cart Please log in.
Data Source Data ID
PubChem 9973058 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.002302  LogD (pH = 7.4) 4.0052266 
Log P 4.005264  Molar Refractivity 104.1245 cm3
Polarizability 38.839134 Å3 Polar Surface Area 61.28 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Certificate of Analysis
Download 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