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1-(5-propyl-1,2-oxazole-3-carbonyl)-4-(1,3-thiazol-2-yl)piperazine

ChemBase ID: 323252
Molecular Formular: C14H18N4O2S
Molecular Mass: 306.38332
Monoisotopic Mass: 306.11504684
SMILES and InChIs

SMILES:
c1(noc(c1)CCC)C(=O)N1CCN(c2nccs2)CC1
Canonical SMILES:
CCCc1onc(c1)C(=O)N1CCN(CC1)c1nccs1
InChI:
InChI=1S/C14H18N4O2S/c1-2-3-11-10-12(16-20-11)13(19)17-5-7-18(8-6-17)14-15-4-9-21-14/h4,9-10H,2-3,5-8H2,1H3
InChIKey:
HZYSMOREQRWDRC-UHFFFAOYSA-N

Cite this record

CBID:323252 http://www.chembase.cn/molecule-323252.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(5-propyl-1,2-oxazole-3-carbonyl)-4-(1,3-thiazol-2-yl)piperazine
IUPAC Traditional name
1-(5-propyl-1,2-oxazole-3-carbonyl)-4-(1,3-thiazol-2-yl)piperazine
Synonyms
1-[(5-propyl-3-isoxazolyl)carbonyl]-4-(1,3-thiazol-2-yl)piperazine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11406064 external link Add to cart
Data Source Data ID Price
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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) 2.267827  LogD (pH = 7.4) 2.269547 
Log P 2.269569  Molar Refractivity 81.5048 cm3
Polarizability 29.839119 Å3 Polar Surface Area 62.47 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.31  LOG S -2.48 
Polar Surface Area 62.47 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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