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2-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-N-(2-methoxyethyl)-N-(propan-2-yl)-1,3-oxazole-4-carboxamide

ChemBase ID: 865528
Molecular Formular: C21H29FN4O3
Molecular Mass: 404.4783632
Monoisotopic Mass: 404.22236903
SMILES and InChIs

SMILES:
c1(nc(oc1)CN1CCN(c2c(F)cccc2)CC1)C(=O)N(C(C)C)CCOC
Canonical SMILES:
COCCN(C(=O)c1coc(n1)CN1CCN(CC1)c1ccccc1F)C(C)C
InChI:
InChI=1S/C21H29FN4O3/c1-16(2)26(12-13-28-3)21(27)18-15-29-20(23-18)14-24-8-10-25(11-9-24)19-7-5-4-6-17(19)22/h4-7,15-16H,8-14H2,1-3H3
InChIKey:
FDQBCAFJJXARBO-UHFFFAOYSA-N

Cite this record

CBID:865528 http://www.chembase.cn/molecule-865528.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-N-(2-methoxyethyl)-N-(propan-2-yl)-1,3-oxazole-4-carboxamide
IUPAC Traditional name
2-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-N-isopropyl-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
Synonyms
2-{[4-(2-fluorophenyl)-1-piperazinyl]methyl}-N-isopropyl-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 66693000 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) 2.0296998  LogD (pH = 7.4) 2.2178783 
Log P 2.2208924  Molar Refractivity 110.1128 cm3
Polarizability 41.340412 Å3 Polar Surface Area 62.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.33  LOG S -1.78 
Polar Surface Area 62.05 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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