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N-[3-(4-{[2-(4-methoxyphenyl)acetamido]methyl}-5-methyl-1,3-oxazol-2-yl)phenyl]-2-methylfuran-3-carboxamide

ChemBase ID: 360413
Molecular Formular: C26H25N3O5
Molecular Mass: 459.4938
Monoisotopic Mass: 459.17942092
SMILES and InChIs

SMILES:
n1c(oc(c1CNC(=O)Cc1ccc(cc1)OC)C)c1cc(NC(=O)c2c(occ2)C)ccc1
Canonical SMILES:
COc1ccc(cc1)CC(=O)NCc1nc(oc1C)c1cccc(c1)NC(=O)c1ccoc1C
InChI:
InChI=1S/C26H25N3O5/c1-16-22(11-12-33-16)25(31)28-20-6-4-5-19(14-20)26-29-23(17(2)34-26)15-27-24(30)13-18-7-9-21(32-3)10-8-18/h4-12,14H,13,15H2,1-3H3,(H,27,30)(H,28,31)
InChIKey:
KXCVKHMXAQPBPR-UHFFFAOYSA-N

Cite this record

CBID:360413 http://www.chembase.cn/molecule-360413.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[3-(4-{[2-(4-methoxyphenyl)acetamido]methyl}-5-methyl-1,3-oxazol-2-yl)phenyl]-2-methylfuran-3-carboxamide
IUPAC Traditional name
N-[3-(4-{[2-(4-methoxyphenyl)acetamido]methyl}-5-methyl-1,3-oxazol-2-yl)phenyl]-2-methylfuran-3-carboxamide
Synonyms
N-{3-[4-({[(4-methoxyphenyl)acetyl]amino}methyl)-5-methyl-1,3-oxazol-2-yl]phenyl}-2-methyl-3-furamide

DATA SOURCES

DATA SOURCES

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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Polarizability 48.442745 Å3 Polar Surface Area 106.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 11.805464  H Acceptors
H Donor LogD (pH = 5.5) 3.2739112 
LogD (pH = 7.4) 3.2738996  Log P 3.273916 
Molar Refractivity 138.7954 cm3
Polar Surface Area 106.6 Å2 Rotatable Bonds
H Acceptors H Donor
Log P 2.64  LOG S -6.08 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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