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4-(2-fluorophenoxy)-1-{[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl}piperidine

ChemBase ID: 450173
Molecular Formular: C21H23FN2O2S
Molecular Mass: 386.4829232
Monoisotopic Mass: 386.14642721
SMILES and InChIs

SMILES:
n1c(c2sc(cc2)C)oc(c1CN1CCC(Oc2c(F)cccc2)CC1)C
Canonical SMILES:
Cc1ccc(s1)c1nc(c(o1)C)CN1CCC(CC1)Oc1ccccc1F
InChI:
InChI=1S/C21H23FN2O2S/c1-14-7-8-20(27-14)21-23-18(15(2)25-21)13-24-11-9-16(10-12-24)26-19-6-4-3-5-17(19)22/h3-8,16H,9-13H2,1-2H3
InChIKey:
FJDPUKLDTFVOFP-UHFFFAOYSA-N

Cite this record

CBID:450173 http://www.chembase.cn/molecule-450173.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(2-fluorophenoxy)-1-{[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl}piperidine
IUPAC Traditional name
4-(2-fluorophenoxy)-1-{[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl}piperidine
Synonyms
4-(2-fluorophenoxy)-1-{[5-methyl-2-(5-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}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) 2.8083627  LogD (pH = 7.4) 4.2151866 
Log P 4.3802595  Molar Refractivity 115.186 cm3
Polarizability 40.56149 Å3 Polar Surface Area 38.5 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.61  LOG S -5.49 
Polar Surface Area 38.5 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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