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1-(5-ethyl-1,3-oxazole-4-carbonyl)-4-(3-methoxybenzoyl)piperazine

ChemBase ID: 865134
Molecular Formular: C18H21N3O4
Molecular Mass: 343.37704
Monoisotopic Mass: 343.15320617
SMILES and InChIs

SMILES:
c1(C(=O)N2CCN(C(=O)c3cc(OC)ccc3)CC2)ncoc1CC
Canonical SMILES:
CCc1ocnc1C(=O)N1CCN(CC1)C(=O)c1cccc(c1)OC
InChI:
InChI=1S/C18H21N3O4/c1-3-15-16(19-12-25-15)18(23)21-9-7-20(8-10-21)17(22)13-5-4-6-14(11-13)24-2/h4-6,11-12H,3,7-10H2,1-2H3
InChIKey:
AFBDJPMLAGFYOQ-UHFFFAOYSA-N

Cite this record

CBID:865134 http://www.chembase.cn/molecule-865134.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(5-ethyl-1,3-oxazole-4-carbonyl)-4-(3-methoxybenzoyl)piperazine
IUPAC Traditional name
1-(5-ethyl-1,3-oxazole-4-carbonyl)-4-(3-methoxybenzoyl)piperazine
Synonyms
1-[(5-ethyl-1,3-oxazol-4-yl)carbonyl]-4-(3-methoxybenzoyl)piperazine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 66626933 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) 1.0915806  LogD (pH = 7.4) 1.0915807 
Log P 1.0915807  Molar Refractivity 92.3959 cm3
Polarizability 34.40583 Å3 Polar Surface Area 75.88 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.1  LOG S -2.93 
Polar Surface Area 75.88 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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