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(dicyclopropylmethyl)({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl})methylamine

ChemBase ID: 450127
Molecular Formular: C21H28N2O3
Molecular Mass: 356.45862
Monoisotopic Mass: 356.20999277
SMILES and InChIs

SMILES:
n1c(c(oc1c1cc(c(cc1)OC)OC)C)CN(C(C1CC1)C1CC1)C
Canonical SMILES:
COc1cc(ccc1OC)c1nc(c(o1)C)CN(C(C1CC1)C1CC1)C
InChI:
InChI=1S/C21H28N2O3/c1-13-17(12-23(2)20(14-5-6-14)15-7-8-15)22-21(26-13)16-9-10-18(24-3)19(11-16)25-4/h9-11,14-15,20H,5-8,12H2,1-4H3
InChIKey:
CJPLOWORICJCGF-UHFFFAOYSA-N

Cite this record

CBID:450127 http://www.chembase.cn/molecule-450127.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(dicyclopropylmethyl)({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl})methylamine
IUPAC Traditional name
(dicyclopropylmethyl)({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl})methylamine
Synonyms
(dicyclopropylmethyl){[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}methylamine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) 0.3174611  LogD (pH = 7.4) 1.9525435 
Log P 3.4679165  Molar Refractivity 111.5198 cm3
Polarizability 40.022793 Å3 Polar Surface Area 47.73 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.43  LOG S -2.49 
Polar Surface Area 47.73 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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