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4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-phenylethyl)piperazin-2-one

ChemBase ID: 510067
Molecular Formular: C16H20N4O2
Molecular Mass: 300.3556
Monoisotopic Mass: 300.1586259
SMILES and InChIs

SMILES:
c1(oc(nn1)CC)N1CC(=O)N(CC1)CCc1ccccc1
Canonical SMILES:
CCc1nnc(o1)N1CCN(C(=O)C1)CCc1ccccc1
InChI:
InChI=1S/C16H20N4O2/c1-2-14-17-18-16(22-14)20-11-10-19(15(21)12-20)9-8-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKey:
NOKMNCQRQAFAPE-UHFFFAOYSA-N

Cite this record

CBID:510067 http://www.chembase.cn/molecule-510067.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-phenylethyl)piperazin-2-one
IUPAC Traditional name
4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-phenylethyl)piperazin-2-one
Synonyms
4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-phenylethyl)piperazin-2-one

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 40465676 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)
Acid pKa 18.433475  H Acceptors
H Donor LogD (pH = 5.5) 1.5305818 
LogD (pH = 7.4) 1.5305822  Log P 1.5305822 
Molar Refractivity 85.0519 cm3 Polarizability 31.322905 Å3
Polar Surface Area 62.47 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.98  LOG S -3.04 
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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