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3-{[(1-{[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidin-3-yl)oxy]methyl}pyridine

ChemBase ID: 340543
Molecular Formular: C27H29N3O3
Molecular Mass: 443.53746
Monoisotopic Mass: 443.2208918
SMILES and InChIs

SMILES:
c1(nc(c(o1)C)CN1CC(OCc2cnccc2)CCC1)c1c2c(c(cc1)OC)cccc2
Canonical SMILES:
COc1ccc(c2c1cccc2)c1oc(c(n1)CN1CCCC(C1)OCc1cccnc1)C
InChI:
InChI=1S/C27H29N3O3/c1-19-25(17-30-14-6-8-21(16-30)32-18-20-7-5-13-28-15-20)29-27(33-19)24-11-12-26(31-2)23-10-4-3-9-22(23)24/h3-5,7,9-13,15,21H,6,8,14,16-18H2,1-2H3
InChIKey:
KFVFMMBKSCDKAB-UHFFFAOYSA-N

Cite this record

CBID:340543 http://www.chembase.cn/molecule-340543.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-{[(1-{[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidin-3-yl)oxy]methyl}pyridine
IUPAC Traditional name
3-{[(1-{[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidin-3-yl)oxy]methyl}pyridine
Synonyms
3-{[(1-{[2-(4-methoxy-1-naphthyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3-piperidinyl)oxy]methyl}pyridine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13891101 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) 1.7650874  LogD (pH = 7.4) 3.4855928 
Log P 3.9195325  Molar Refractivity 138.663 cm3
Polarizability 51.476974 Å3 Polar Surface Area 60.62 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.21  LOG S -4.66 
Polar Surface Area 60.62 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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