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4-(benzyloxy)-1-({5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)piperidine

ChemBase ID: 420151
Molecular Formular: C24H25F3N2O2
Molecular Mass: 430.4627096
Monoisotopic Mass: 430.18681271
SMILES and InChIs

SMILES:
n1c(c(oc1c1cc(C(F)(F)F)ccc1)C)CN1CCC(CC1)OCc1ccccc1
Canonical SMILES:
Cc1oc(nc1CN1CCC(CC1)OCc1ccccc1)c1cccc(c1)C(F)(F)F
InChI:
InChI=1S/C24H25F3N2O2/c1-17-22(28-23(31-17)19-8-5-9-20(14-19)24(25,26)27)15-29-12-10-21(11-13-29)30-16-18-6-3-2-4-7-18/h2-9,14,21H,10-13,15-16H2,1H3
InChIKey:
XOJPXNHDWAUELD-UHFFFAOYSA-N

Cite this record

CBID:420151 http://www.chembase.cn/molecule-420151.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(benzyloxy)-1-({5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)piperidine
IUPAC Traditional name
4-(benzyloxy)-1-({5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)piperidine
Synonyms
4-(benzyloxy)-1-({5-methyl-2-[3-(trifluoromethyl)phenyl]-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

供应商提供(Chembridge) JChem
Rotatable Bonds H Acceptors
H Donor Log P 4.67 
LOG S -5.94  Polar Surface Area 38.5 Å2
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 2.4956958 
LogD (pH = 7.4) 4.2147503  Log P 4.7258453 
Molar Refractivity 124.101 cm3 Polarizability 43.263435 Å3
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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