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methyl({[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl})(pyrazin-2-ylmethyl)amine

ChemBase ID: 410310
Molecular Formular: C16H17N5O2
Molecular Mass: 311.33848
Monoisotopic Mass: 311.13822481
SMILES and InChIs

SMILES:
n1c(onc1COc1ccccc1)CN(Cc1nccnc1)C
Canonical SMILES:
CN(Cc1onc(n1)COc1ccccc1)Cc1cnccn1
InChI:
InChI=1S/C16H17N5O2/c1-21(10-13-9-17-7-8-18-13)11-16-19-15(20-23-16)12-22-14-5-3-2-4-6-14/h2-9H,10-12H2,1H3
InChIKey:
HPZKSIHICPPKGI-UHFFFAOYSA-N

Cite this record

CBID:410310 http://www.chembase.cn/molecule-410310.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl({[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl})(pyrazin-2-ylmethyl)amine
IUPAC Traditional name
methyl({[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl})(pyrazin-2-ylmethyl)amine
Synonyms
N-methyl-1-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(2-pyrazinylmethyl)methanamine

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)
H Acceptors H Donor
LogD (pH = 5.5) 1.2554766  LogD (pH = 7.4) 1.3088354 
Log P 1.3095598  Molar Refractivity 84.9069 cm3
Polarizability 32.409374 Å3 Polar Surface Area 77.17 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.33  LOG S -0.63 
Polar Surface Area 77.17 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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