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1036461-01-4 molecular structure
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4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine

ChemBase ID: 815461
Molecular Formular: C10H15N3O
Molecular Mass: 193.2456
Monoisotopic Mass: 193.12151212
SMILES and InChIs

SMILES:
o1nc(nc1C1CCNCC1)C1CC1
Canonical SMILES:
N1CCC(CC1)c1onc(n1)C1CC1
InChI:
InChI=1S/C10H15N3O/c1-2-7(1)9-12-10(14-13-9)8-3-5-11-6-4-8/h7-8,11H,1-6H2
InChIKey:
YHECXJALZCUWMF-UHFFFAOYSA-N

Cite this record

CBID:815461 http://www.chembase.cn/molecule-815461.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine
IUPAC Traditional name
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine
Synonyms
3-cyclopropyl-5-(piperidin-4-yl)-1,2,4-oxadiazole
CAS Number
1036461-01-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37776 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37776 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) -2.0694902  LogD (pH = 7.4) -1.0602503 
Log P 1.2450664  Molar Refractivity 53.57 cm3
Polarizability 20.099257 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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