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4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-[1-(propan-2-yl)-1H-pyrazole-4-carbonyl]piperidine

ChemBase ID: 865682
Molecular Formular: C20H22FN5O2
Molecular Mass: 383.4193832
Monoisotopic Mass: 383.17575319
SMILES and InChIs

SMILES:
c1(C(=O)N2CCC(c3oc(nn3)c3ccc(cc3)F)CC2)cn(nc1)C(C)C
Canonical SMILES:
Fc1ccc(cc1)c1nnc(o1)C1CCN(CC1)C(=O)c1cnn(c1)C(C)C
InChI:
InChI=1S/C20H22FN5O2/c1-13(2)26-12-16(11-22-26)20(27)25-9-7-15(8-10-25)19-24-23-18(28-19)14-3-5-17(21)6-4-14/h3-6,11-13,15H,7-10H2,1-2H3
InChIKey:
CECOPIOMCCMNRX-UHFFFAOYSA-N

Cite this record

CBID:865682 http://www.chembase.cn/molecule-865682.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-[1-(propan-2-yl)-1H-pyrazole-4-carbonyl]piperidine
IUPAC Traditional name
4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(1-isopropylpyrazole-4-carbonyl)piperidine
Synonyms
4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]piperidine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 66720377 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) 2.014148  LogD (pH = 7.4) 2.01416 
Log P 2.0141602  Molar Refractivity 125.4811 cm3
Polarizability 38.58833 Å3 Polar Surface Area 77.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.74  LOG S -2.63 
Polar Surface Area 77.05 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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