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5-(2-methoxyphenoxymethyl)-N-methyl-N-[1-(thiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide

ChemBase ID: 460150
Molecular Formular: C19H20N2O4S
Molecular Mass: 372.4381
Monoisotopic Mass: 372.11437813
SMILES and InChIs

SMILES:
c1(C(=O)N(C(c2sccc2)C)C)noc(c1)COc1c(OC)cccc1
Canonical SMILES:
COc1ccccc1OCc1onc(c1)C(=O)N(C(c1cccs1)C)C
InChI:
InChI=1S/C19H20N2O4S/c1-13(18-9-6-10-26-18)21(2)19(22)15-11-14(25-20-15)12-24-17-8-5-4-7-16(17)23-3/h4-11,13H,12H2,1-3H3
InChIKey:
AZFWPDDXOXEINS-UHFFFAOYSA-N

Cite this record

CBID:460150 http://www.chembase.cn/molecule-460150.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(2-methoxyphenoxymethyl)-N-methyl-N-[1-(thiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide
IUPAC Traditional name
5-(2-methoxyphenoxymethyl)-N-methyl-N-[1-(thiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide
Synonyms
5-[(2-methoxyphenoxy)methyl]-N-methyl-N-[1-(2-thienyl)ethyl]isoxazole-3-carboxamide

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) 3.4046953  LogD (pH = 7.4) 3.4046953 
Log P 3.4046953  Molar Refractivity 99.3376 cm3
Polarizability 37.600365 Å3 Polar Surface Area 64.8 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.49  LOG S -3.19 
Polar Surface Area 64.8 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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