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1-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazine

ChemBase ID: 340400
Molecular Formular: C12H18N6O
Molecular Mass: 262.31092
Monoisotopic Mass: 262.15420923
SMILES and InChIs

SMILES:
c1(oc(nn1)C)N1CCN(Cc2n(ccn2)C)CC1
Canonical SMILES:
Cc1nnc(o1)N1CCN(CC1)Cc1nccn1C
InChI:
InChI=1S/C12H18N6O/c1-10-14-15-12(19-10)18-7-5-17(6-8-18)9-11-13-3-4-16(11)2/h3-4H,5-9H2,1-2H3
InChIKey:
BUAHBXWAOBEFNW-UHFFFAOYSA-N

Cite this record

CBID:340400 http://www.chembase.cn/molecule-340400.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazine
IUPAC Traditional name
1-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(1-methylimidazol-2-yl)methyl]piperazine
Synonyms
1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine

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) -1.0381275  LogD (pH = 7.4) -0.4029948 
Log P -0.37999067  Molar Refractivity 73.1674 cm3
Polarizability 26.55917 Å3 Polar Surface Area 63.22 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.66  LOG S -1.27 
Polar Surface Area 63.22 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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