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1-cyclopentyl-4-{5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazole-3-carbonyl}piperazine

ChemBase ID: 410342
Molecular Formular: C20H33N5O2
Molecular Mass: 375.50832
Monoisotopic Mass: 375.26342532
SMILES and InChIs

SMILES:
c1(noc(c1)CN1CCN(CC1)CC)C(=O)N1CCN(CC1)C1CCCC1
Canonical SMILES:
CCN1CCN(CC1)Cc1onc(c1)C(=O)N1CCN(CC1)C1CCCC1
InChI:
InChI=1S/C20H33N5O2/c1-2-22-7-9-23(10-8-22)16-18-15-19(21-27-18)20(26)25-13-11-24(12-14-25)17-5-3-4-6-17/h15,17H,2-14,16H2,1H3
InChIKey:
NJPXTMWTWXXGKY-UHFFFAOYSA-N

Cite this record

CBID:410342 http://www.chembase.cn/molecule-410342.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-cyclopentyl-4-{5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazole-3-carbonyl}piperazine
IUPAC Traditional name
1-cyclopentyl-4-{5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazole-3-carbonyl}piperazine
Synonyms
1-cyclopentyl-4-({5-[(4-ethylpiperazin-1-yl)methyl]isoxazol-3-yl}carbonyl)piperazine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -2.9918685  LogD (pH = 7.4) 0.381098 
Log P 1.2887808  Molar Refractivity 107.682 cm3
Polarizability 41.015884 Å3 Polar Surface Area 56.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -1.06  LOG S -2.34 
Polar Surface Area 56.06 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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