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5-(2-chloro-4-methoxyphenoxymethyl)-N-(1-phenylcyclopropyl)-1,2-oxazole-3-carboxamide

ChemBase ID: 370370
Molecular Formular: C21H19ClN2O4
Molecular Mass: 398.83956
Monoisotopic Mass: 398.10333478
SMILES and InChIs

SMILES:
c1(noc(c1)COc1c(cc(cc1)OC)Cl)C(=O)NC1(CC1)c1ccccc1
Canonical SMILES:
COc1ccc(c(c1)Cl)OCc1onc(c1)C(=O)NC1(CC1)c1ccccc1
InChI:
InChI=1S/C21H19ClN2O4/c1-26-15-7-8-19(17(22)11-15)27-13-16-12-18(24-28-16)20(25)23-21(9-10-21)14-5-3-2-4-6-14/h2-8,11-12H,9-10,13H2,1H3,(H,23,25)
InChIKey:
GEUJZIJXMJPBDJ-UHFFFAOYSA-N

Cite this record

CBID:370370 http://www.chembase.cn/molecule-370370.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(2-chloro-4-methoxyphenoxymethyl)-N-(1-phenylcyclopropyl)-1,2-oxazole-3-carboxamide
IUPAC Traditional name
5-(2-chloro-4-methoxyphenoxymethyl)-N-(1-phenylcyclopropyl)-1,2-oxazole-3-carboxamide
Synonyms
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1-phenylcyclopropyl)-3-isoxazolecarboxamide

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)
Acid pKa 11.354591  H Acceptors
H Donor LogD (pH = 5.5) 3.8449402 
LogD (pH = 7.4) 3.844898  Log P 3.8449407 
Molar Refractivity 105.0378 cm3 Polarizability 40.10017 Å3
Polar Surface Area 73.59 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.29  LOG S -5.98 
Polar Surface Area 73.59 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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