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5-(1-methyl-1H-imidazol-2-yl)-3-(1-phenylcyclopropyl)-1,2,4-oxadiazole

ChemBase ID: 340252
Molecular Formular: C15H14N4O
Molecular Mass: 266.29786
Monoisotopic Mass: 266.11676109
SMILES and InChIs

SMILES:
c1(nc(C2(CC2)c2ccccc2)no1)c1n(ccn1)C
Canonical SMILES:
Cn1ccnc1c1onc(n1)C1(CC1)c1ccccc1
InChI:
InChI=1S/C15H14N4O/c1-19-10-9-16-12(19)13-17-14(18-20-13)15(7-8-15)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
InChIKey:
MCKRICGVADHIPX-UHFFFAOYSA-N

Cite this record

CBID:340252 http://www.chembase.cn/molecule-340252.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(1-methyl-1H-imidazol-2-yl)-3-(1-phenylcyclopropyl)-1,2,4-oxadiazole
IUPAC Traditional name
5-(1-methylimidazol-2-yl)-3-(1-phenylcyclopropyl)-1,2,4-oxadiazole
Synonyms
5-(1-methyl-1H-imidazol-2-yl)-3-(1-phenylcyclopropyl)-1,2,4-oxadiazole

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) 3.2864258  LogD (pH = 7.4) 3.2931998 
Log P 3.293287  Molar Refractivity 106.7066 cm3
Polarizability 27.941296 Å3 Polar Surface Area 56.74 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.98  LOG S -2.83 
Polar Surface Area 56.74 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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