Home > Compound List > Compound details
323579-00-6 molecular structure
click picture or here to close

5-chloro-2-methyl-1,3-benzoxazol-6-amine

ChemBase ID: 798436
Molecular Formular: C8H7ClN2O
Molecular Mass: 182.60698
Monoisotopic Mass: 182.02469053
SMILES and InChIs

SMILES:
c12oc(nc1cc(c(c2)N)Cl)C
Canonical SMILES:
Cc1oc2c(n1)cc(c(c2)N)Cl
InChI:
InChI=1S/C8H7ClN2O/c1-4-11-7-2-5(9)6(10)3-8(7)12-4/h2-3H,10H2,1H3
InChIKey:
VZICVFYCZDSEFK-UHFFFAOYSA-N

Cite this record

CBID:798436 http://www.chembase.cn/molecule-798436.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-2-methyl-1,3-benzoxazol-6-amine
IUPAC Traditional name
5-chloro-2-methyl-1,3-benzoxazol-6-amine
Synonyms
2-methyl-5-chloro-6-benzoxazolamine
CAS Number
323579-00-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.914396  H Acceptors
H Donor LogD (pH = 5.5) 1.2179896 
LogD (pH = 7.4) 1.2180481  Log P 1.2180488 
Molar Refractivity 46.669 cm3 Polarizability 18.600386 Å3
Polar Surface Area 52.05 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source
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