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N-ethyl-N-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-methyl-3-phenyl-1H-pyrazole-5-carboxamide

ChemBase ID: 470315
Molecular Formular: C18H21N5O3
Molecular Mass: 355.39104
Monoisotopic Mass: 355.16443956
SMILES and InChIs

SMILES:
c1(n(nc(c1)c1ccccc1)C)C(=O)N(Cc1nc(no1)COC)CC
Canonical SMILES:
COCc1noc(n1)CN(C(=O)c1cc(nn1C)c1ccccc1)CC
InChI:
InChI=1S/C18H21N5O3/c1-4-23(11-17-19-16(12-25-3)21-26-17)18(24)15-10-14(20-22(15)2)13-8-6-5-7-9-13/h5-10H,4,11-12H2,1-3H3
InChIKey:
LWQYVMANEVLZRC-UHFFFAOYSA-N

Cite this record

CBID:470315 http://www.chembase.cn/molecule-470315.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-ethyl-N-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-methyl-3-phenyl-1H-pyrazole-5-carboxamide
IUPAC Traditional name
N-ethyl-N-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methyl-5-phenylpyrazole-3-carboxamide
Synonyms
N-ethyl-N-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-methyl-3-phenyl-1H-pyrazole-5-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 33935064 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 1.8293319  LogD (pH = 7.4) 1.8293455 
Log P 1.8293457  Molar Refractivity 108.857 cm3
Polarizability 37.29642 Å3 Polar Surface Area 86.28 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.18  LOG S -2.8 
Polar Surface Area 86.28 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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