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N-(3-ethoxy-2-hydroxypropyl)-5-(3-methoxyphenoxymethyl)-1,2-oxazole-3-carboxamide

ChemBase ID: 322304
Molecular Formular: C17H22N2O6
Molecular Mass: 350.36638
Monoisotopic Mass: 350.14778643
SMILES and InChIs

SMILES:
c1(noc(c1)COc1cc(OC)ccc1)C(=O)NCC(O)COCC
Canonical SMILES:
CCOCC(CNC(=O)c1noc(c1)COc1cccc(c1)OC)O
InChI:
InChI=1S/C17H22N2O6/c1-3-23-10-12(20)9-18-17(21)16-8-15(25-19-16)11-24-14-6-4-5-13(7-14)22-2/h4-8,12,20H,3,9-11H2,1-2H3,(H,18,21)
InChIKey:
CWLIBDODROLDFQ-UHFFFAOYSA-N

Cite this record

CBID:322304 http://www.chembase.cn/molecule-322304.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

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

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11271702 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 12.143754  H Acceptors
H Donor LogD (pH = 5.5) 0.80658704 
LogD (pH = 7.4) 0.8065802  Log P 0.8065871 
Molar Refractivity 90.2742 cm3 Polarizability 34.408337 Å3
Polar Surface Area 103.05 Å2 Rotatable Bonds 10 
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.19  LOG S -3.55 
Polar Surface Area 103.05 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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