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N'-(2-ethoxyphenyl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]propanediamide

ChemBase ID: 340977
Molecular Formular: C18H23N3O4
Molecular Mass: 345.39292
Monoisotopic Mass: 345.16885623
SMILES and InChIs

SMILES:
n1oc(cc1CCC)CNC(=O)CC(=O)Nc1c(OCC)cccc1
Canonical SMILES:
CCCc1noc(c1)CNC(=O)CC(=O)Nc1ccccc1OCC
InChI:
InChI=1S/C18H23N3O4/c1-3-7-13-10-14(25-21-13)12-19-17(22)11-18(23)20-15-8-5-6-9-16(15)24-4-2/h5-6,8-10H,3-4,7,11-12H2,1-2H3,(H,19,22)(H,20,23)
InChIKey:
HGGUBTUMIDALDY-UHFFFAOYSA-N

Cite this record

CBID:340977 http://www.chembase.cn/molecule-340977.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N'-(2-ethoxyphenyl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]propanediamide
IUPAC Traditional name
N'-(2-ethoxyphenyl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]propanediamide
Synonyms
N-(2-ethoxyphenyl)-N'-[(3-propylisoxazol-5-yl)methyl]malonamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13953405 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 12.11612  H Acceptors
H Donor LogD (pH = 5.5) 2.004546 
LogD (pH = 7.4) 2.0045412  Log P 2.004549 
Molar Refractivity 94.9473 cm3 Polarizability 35.51917 Å3
Polar Surface Area 93.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.41  LOG S -2.92 
Polar Surface Area 93.46 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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