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ethyl({1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl}methyl)[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amine

ChemBase ID: 323166
Molecular Formular: C25H31FN4O
Molecular Mass: 422.5382432
Monoisotopic Mass: 422.24818985
SMILES and InChIs

SMILES:
n1c(noc1CN(CC1CN(CCc2cc(F)ccc2)CCC1)CC)c1ccccc1
Canonical SMILES:
CCN(Cc1onc(n1)c1ccccc1)CC1CCCN(C1)CCc1cccc(c1)F
InChI:
InChI=1S/C25H31FN4O/c1-2-29(19-24-27-25(28-31-24)22-10-4-3-5-11-22)17-21-9-7-14-30(18-21)15-13-20-8-6-12-23(26)16-20/h3-6,8,10-12,16,21H,2,7,9,13-15,17-19H2,1H3
InChIKey:
OHQBJNFGLRJNBY-UHFFFAOYSA-N

Cite this record

CBID:323166 http://www.chembase.cn/molecule-323166.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl({1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl}methyl)[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amine
IUPAC Traditional name
ethyl({1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl}methyl)[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amine
Synonyms
N-({1-[2-(3-fluorophenyl)ethyl]-3-piperidinyl}methyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11392940 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) 0.82823336  LogD (pH = 7.4) 3.5128942 
Log P 5.252003  Molar Refractivity 134.4578 cm3
Polarizability 47.463737 Å3 Polar Surface Area 45.4 Å2
Rotatable Bonds Lipinski's Rule of Five false 
H Acceptors H Donor
Log P 4.7  LOG S -3.91 
Polar Surface Area 45.4 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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