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1209729-06-5 molecular structure
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{[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]methyl}dimethylamine

ChemBase ID: 307593
Molecular Formular: C6H10ClN3O
Molecular Mass: 175.6161
Monoisotopic Mass: 175.05123964
SMILES and InChIs

SMILES:
n1c(noc1CCl)CN(C)C
Canonical SMILES:
ClCc1onc(n1)CN(C)C
InChI:
InChI=1S/C6H10ClN3O/c1-10(2)4-5-8-6(3-7)11-9-5/h3-4H2,1-2H3
InChIKey:
JWYZWAPIQMDBEN-UHFFFAOYSA-N

Cite this record

CBID:307593 http://www.chembase.cn/molecule-307593.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]methyl}dimethylamine
IUPAC Traditional name
{[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]methyl}dimethylamine
Synonyms
1-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanamine
CAS Number
1209729-06-5
MDL Number
MFCD12198426

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.5004739  LogD (pH = 7.4) 0.97024655 
Log P 0.9811837  Molar Refractivity 43.9214 cm3
Polarizability 16.247856 Å3 Polar Surface Area 42.16 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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