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4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine

ChemBase ID: 370095
Molecular Formular: C21H24N4O3
Molecular Mass: 380.44026
Monoisotopic Mass: 380.18484065
SMILES and InChIs

SMILES:
c1(noc(c1)c1ccccc1)C(=O)N1CCC(c2n(ccn2)CCOC)CC1
Canonical SMILES:
COCCn1ccnc1C1CCN(CC1)C(=O)c1noc(c1)c1ccccc1
InChI:
InChI=1S/C21H24N4O3/c1-27-14-13-24-12-9-22-20(24)17-7-10-25(11-8-17)21(26)18-15-19(28-23-18)16-5-3-2-4-6-16/h2-6,9,12,15,17H,7-8,10-11,13-14H2,1H3
InChIKey:
WABJXAMVWYDFSC-UHFFFAOYSA-N

Cite this record

CBID:370095 http://www.chembase.cn/molecule-370095.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine
IUPAC Traditional name
4-[1-(2-methoxyethyl)imidazol-2-yl]-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine
Synonyms
4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-[(5-phenylisoxazol-3-yl)carbonyl]piperidine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) 1.3674436  LogD (pH = 7.4) 2.0103586 
Log P 2.0398579  Molar Refractivity 106.1454 cm3
Polarizability 41.13203 Å3 Polar Surface Area 73.39 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.36  LOG S -2.28 
Polar Surface Area 73.39 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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