Home > Compound List > Compound details
445470-08-6 molecular structure
click picture or here to close

2-chloro-4-phenyl-1,3-oxazole

ChemBase ID: 815717
Molecular Formular: C9H6ClNO
Molecular Mass: 179.60304
Monoisotopic Mass: 179.0137915
SMILES and InChIs

SMILES:
o1c(nc(c1)c1ccccc1)Cl
Canonical SMILES:
Clc1occ(n1)c1ccccc1
InChI:
InChI=1S/C9H6ClNO/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-6H
InChIKey:
WZZRJXYIRGYIKA-UHFFFAOYSA-N

Cite this record

CBID:815717 http://www.chembase.cn/molecule-815717.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-4-phenyl-1,3-oxazole
IUPAC Traditional name
2-chloro-4-phenyl-1,3-oxazole
Synonyms
2-chloro-4-phenyloxazole
CAS Number
445470-08-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O38114 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O38114 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) 2.8622272  LogD (pH = 7.4) 2.8622272 
Log P 2.8622272  Molar Refractivity 46.5575 cm3
Polarizability 19.276562 Å3 Polar Surface Area 26.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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