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N-{2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl}-3-methylthiophene-2-carboxamide

ChemBase ID: 370590
Molecular Formular: C11H13N3O3S
Molecular Mass: 267.30422
Monoisotopic Mass: 267.06776229
SMILES and InChIs

SMILES:
n1c(onc1CCNC(=O)c1c(ccs1)C)CO
Canonical SMILES:
OCc1onc(n1)CCNC(=O)c1sccc1C
InChI:
InChI=1S/C11H13N3O3S/c1-7-3-5-18-10(7)11(16)12-4-2-8-13-9(6-15)17-14-8/h3,5,15H,2,4,6H2,1H3,(H,12,16)
InChIKey:
BMNYWFWUUHCUCK-UHFFFAOYSA-N

Cite this record

CBID:370590 http://www.chembase.cn/molecule-370590.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl}-3-methylthiophene-2-carboxamide
IUPAC Traditional name
N-{2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl}-3-methylthiophene-2-carboxamide
Synonyms
N-{2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl}-3-methylthiophene-2-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 12.81506  H Acceptors
H Donor LogD (pH = 5.5) 1.0103585 
LogD (pH = 7.4) 1.0103568  Log P 1.0103585 
Molar Refractivity 67.5459 cm3 Polarizability 24.600698 Å3
Polar Surface Area 88.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.23  LOG S -2.66 
Polar Surface Area 88.25 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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