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N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenoxymethyl]-1,3-oxazole-4-carboxamide

ChemBase ID: 320287
Molecular Formular: C17H14F3N3O3S
Molecular Mass: 397.3715696
Monoisotopic Mass: 397.07079698
SMILES and InChIs

SMILES:
c1(nc(oc1)COc1cc(C(F)(F)F)ccc1)C(=O)NCc1nc(cs1)C
Canonical SMILES:
Cc1csc(n1)CNC(=O)c1coc(n1)COc1cccc(c1)C(F)(F)F
InChI:
InChI=1S/C17H14F3N3O3S/c1-10-9-27-15(22-10)6-21-16(24)13-7-26-14(23-13)8-25-12-4-2-3-11(5-12)17(18,19)20/h2-5,7,9H,6,8H2,1H3,(H,21,24)
InChIKey:
PFWXNTISRKOHKE-UHFFFAOYSA-N

Cite this record

CBID:320287 http://www.chembase.cn/molecule-320287.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenoxymethyl]-1,3-oxazole-4-carboxamide
IUPAC Traditional name
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenoxymethyl]-1,3-oxazole-4-carboxamide
Synonyms
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-{[3-(trifluoromethyl)phenoxy]methyl}-1,3-oxazole-4-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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 11.951836  H Acceptors
H Donor LogD (pH = 5.5) 2.4807749 
LogD (pH = 7.4) 2.4809105  Log P 2.4809232 
Molar Refractivity 90.4865 cm3 Polarizability 33.58996 Å3
Polar Surface Area 77.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.26  LOG S -5.67 
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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