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benzyl({[3-(2,2-diethylmorpholine-4-carbonyl)-1,2-oxazol-5-yl]methyl})methylamine

ChemBase ID: 410347
Molecular Formular: C21H29N3O3
Molecular Mass: 371.47326
Monoisotopic Mass: 371.2208918
SMILES and InChIs

SMILES:
c1(C(=O)N2CC(OCC2)(CC)CC)noc(c1)CN(Cc1ccccc1)C
Canonical SMILES:
CCC1(CC)OCCN(C1)C(=O)c1noc(c1)CN(Cc1ccccc1)C
InChI:
InChI=1S/C21H29N3O3/c1-4-21(5-2)16-24(11-12-26-21)20(25)19-13-18(27-22-19)15-23(3)14-17-9-7-6-8-10-17/h6-10,13H,4-5,11-12,14-16H2,1-3H3
InChIKey:
KJVGMMGUGGLZCZ-UHFFFAOYSA-N

Cite this record

CBID:410347 http://www.chembase.cn/molecule-410347.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
benzyl({[3-(2,2-diethylmorpholine-4-carbonyl)-1,2-oxazol-5-yl]methyl})methylamine
IUPAC Traditional name
benzyl({[3-(2,2-diethylmorpholine-4-carbonyl)-1,2-oxazol-5-yl]methyl})methylamine
Synonyms
N-benzyl-1-{3-[(2,2-diethylmorpholin-4-yl)carbonyl]isoxazol-5-yl}-N-methylmethanamine

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) 1.5677216  LogD (pH = 7.4) 2.968876 
Log P 3.131201  Molar Refractivity 106.2121 cm3
Polarizability 40.492077 Å3 Polar Surface Area 58.81 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.48  LOG S -3.17 
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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