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83925-65-9 molecular structure
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5-cyclohexyl-2,3-dihydro-1,3,4-oxadiazol-2-one

ChemBase ID: 799878
Molecular Formular: C8H12N2O2
Molecular Mass: 168.19308
Monoisotopic Mass: 168.08987763
SMILES and InChIs

SMILES:
o1c(=O)[nH]nc1C1CCCCC1
Canonical SMILES:
O=c1[nH]nc(o1)C1CCCCC1
InChI:
InChI=1S/C8H12N2O2/c11-8-10-9-7(12-8)6-4-2-1-3-5-6/h6H,1-5H2,(H,10,11)
InChIKey:
PGQJIMPLNZYOGQ-UHFFFAOYSA-N

Cite this record

CBID:799878 http://www.chembase.cn/molecule-799878.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-cyclohexyl-2,3-dihydro-1,3,4-oxadiazol-2-one
IUPAC Traditional name
5-cyclohexyl-3H-1,3,4-oxadiazol-2-one
Synonyms
5-cyclohexyl-1,3,4-oxadiazol-2(3H)-one
CAS Number
83925-65-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O14925 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O14925 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.6319327  H Acceptors
H Donor LogD (pH = 5.5) 1.9181097 
LogD (pH = 7.4) 1.7486765  Log P 1.9209378 
Molar Refractivity 42.418 cm3 Polarizability 16.685751 Å3
Polar Surface Area 50.69 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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