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N-({2-[3-(2-methoxyacetamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-3,3-dimethylbutanamide

ChemBase ID: 341123
Molecular Formular: C20H27N3O4
Molecular Mass: 373.44608
Monoisotopic Mass: 373.20015636
SMILES and InChIs

SMILES:
n1c(oc(c1CNC(=O)CC(C)(C)C)C)c1cc(NC(=O)COC)ccc1
Canonical SMILES:
COCC(=O)Nc1cccc(c1)c1nc(c(o1)C)CNC(=O)CC(C)(C)C
InChI:
InChI=1S/C20H27N3O4/c1-13-16(11-21-17(24)10-20(2,3)4)23-19(27-13)14-7-6-8-15(9-14)22-18(25)12-26-5/h6-9H,10-12H2,1-5H3,(H,21,24)(H,22,25)
InChIKey:
NDZNQZWQFITPNN-UHFFFAOYSA-N

Cite this record

CBID:341123 http://www.chembase.cn/molecule-341123.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-({2-[3-(2-methoxyacetamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-3,3-dimethylbutanamide
IUPAC Traditional name
N-({2-[3-(2-methoxyacetamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-3,3-dimethylbutanamide
Synonyms
N-[(2-{3-[(methoxyacetyl)amino]phenyl}-5-methyl-1,3-oxazol-4-yl)methyl]-3,3-dimethylbutanamide

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 12.711411  H Acceptors
H Donor LogD (pH = 5.5) 1.9613107 
LogD (pH = 7.4) 1.9613132  Log P 1.9613153 
Molar Refractivity 113.9817 cm3 Polarizability 39.868973 Å3
Polar Surface Area 93.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.64  LOG S -4.98 
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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