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4-(1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-3-carbonyl)morpholine

ChemBase ID: 410146
Molecular Formular: C21H26ClN3O3
Molecular Mass: 403.90244
Monoisotopic Mass: 403.16626939
SMILES and InChIs

SMILES:
n1c(c(oc1c1ccc(cc1)Cl)C)CN1CC(C(=O)N2CCOCC2)CCC1
Canonical SMILES:
Clc1ccc(cc1)c1oc(c(n1)CN1CCCC(C1)C(=O)N1CCOCC1)C
InChI:
InChI=1S/C21H26ClN3O3/c1-15-19(23-20(28-15)16-4-6-18(22)7-5-16)14-24-8-2-3-17(13-24)21(26)25-9-11-27-12-10-25/h4-7,17H,2-3,8-14H2,1H3
InChIKey:
GGOFTURDRWHPGH-UHFFFAOYSA-N

Cite this record

CBID:410146 http://www.chembase.cn/molecule-410146.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-3-carbonyl)morpholine
IUPAC Traditional name
4-(1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-3-carbonyl)morpholine
Synonyms
4-[(1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3-piperidinyl)carbonyl]morpholine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -0.08351463  LogD (pH = 7.4) 1.6841403 
Log P 2.4173093  Molar Refractivity 118.762 cm3
Polarizability 42.455334 Å3 Polar Surface Area 58.81 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.04  LOG S -2.23 
Polar Surface Area 58.81 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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