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1036625-17-8 molecular structure
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4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidine

ChemBase ID: 815611
Molecular Formular: C11H19N3O
Molecular Mass: 209.28806
Monoisotopic Mass: 209.15281224
SMILES and InChIs

SMILES:
o1nc(nc1C1CCNCC1)C(C)(C)C
Canonical SMILES:
CC(c1noc(n1)C1CCNCC1)(C)C
InChI:
InChI=1S/C11H19N3O/c1-11(2,3)10-13-9(15-14-10)8-4-6-12-7-5-8/h8,12H,4-7H2,1-3H3
InChIKey:
WFJAVLSRTDDOQH-UHFFFAOYSA-N

Cite this record

CBID:815611 http://www.chembase.cn/molecule-815611.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidine
IUPAC Traditional name
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidine
Synonyms
3-tert-butyl-5-(piperidin-4-yl)-1,2,4-oxadiazole
CAS Number
1036625-17-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37965 external link Add to cart
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) -1.0091002  LogD (pH = 7.4) 4.1839658E-4 
Log P 2.305415  Molar Refractivity 59.8732 cm3
Polarizability 22.6549 Å3 Polar Surface Area 50.95 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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