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MFCD16125972 molecular structure
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N-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine

ChemBase ID: 270288
Molecular Formular: C11H19N3O
Molecular Mass: 209.28806
Monoisotopic Mass: 209.15281224
SMILES and InChIs

SMILES:
c1(onc(c1)C)CN1CCC(CC1)NC
Canonical SMILES:
CNC1CCN(CC1)Cc1onc(c1)C
InChI:
InChI=1S/C11H19N3O/c1-9-7-11(15-13-9)8-14-5-3-10(12-2)4-6-14/h7,10,12H,3-6,8H2,1-2H3
InChIKey:
BVTZFWJWIKKVFZ-UHFFFAOYSA-N

Cite this record

CBID:270288 http://www.chembase.cn/molecule-270288.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine
IUPAC Traditional name
N-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine
Synonyms
N-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine
MDL Number
MFCD16125972
PubChem SID
164326198
PubChem CID
50989057

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-69086 external link Add to cart Please log in.
Data Source Data ID
PubChem 50989057 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.180518  LogD (pH = 7.4) -2.9748898 
Log P -0.025682535  Molar Refractivity 60.6681 cm3
Polarizability 23.282797 Å3 Polar Surface Area 41.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-0.424 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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