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N-{[2-(2,4-difluorophenoxy)pyridin-3-yl]methyl}-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide

ChemBase ID: 350140
Molecular Formular: C19H17F2N3O3
Molecular Mass: 373.3533864
Monoisotopic Mass: 373.12379786
SMILES and InChIs

SMILES:
c1(c(nc(o1)CC)C)C(=O)NCc1c(Oc2c(cc(cc2)F)F)nccc1
Canonical SMILES:
CCc1nc(c(o1)C(=O)NCc1cccnc1Oc1ccc(cc1F)F)C
InChI:
InChI=1S/C19H17F2N3O3/c1-3-16-24-11(2)17(27-16)18(25)23-10-12-5-4-8-22-19(12)26-15-7-6-13(20)9-14(15)21/h4-9H,3,10H2,1-2H3,(H,23,25)
InChIKey:
YXISTNFDUMVHOY-UHFFFAOYSA-N

Cite this record

CBID:350140 http://www.chembase.cn/molecule-350140.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{[2-(2,4-difluorophenoxy)pyridin-3-yl]methyl}-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
IUPAC Traditional name
N-{[2-(2,4-difluorophenoxy)pyridin-3-yl]methyl}-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
Synonyms
N-{[2-(2,4-difluorophenoxy)pyridin-3-yl]methyl}-2-ethyl-4-methyl-1,3-oxazole-5-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)
Acid pKa 13.790312  H Acceptors
H Donor LogD (pH = 5.5) 2.751319 
LogD (pH = 7.4) 2.7513738  Log P 2.7513747 
Molar Refractivity 93.7219 cm3 Polarizability 34.863007 Å3
Polar Surface Area 77.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.03  LOG S -3.66 
Polar Surface Area 77.25 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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