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5-ethyl-3-[(2-{2-phenylimidazo[1,2-a]pyridin-3-yl}-1H-imidazol-1-yl)methyl]-1,2,4-oxadiazole

ChemBase ID: 341642
Molecular Formular: C21H18N6O
Molecular Mass: 370.40722
Monoisotopic Mass: 370.15420923
SMILES and InChIs

SMILES:
c1(c(nc2n1cccc2)c1ccccc1)c1n(Cc2nc(on2)CC)ccn1
Canonical SMILES:
CCc1onc(n1)Cn1ccnc1c1c(nc2n1cccc2)c1ccccc1
InChI:
InChI=1S/C21H18N6O/c1-2-18-23-16(25-28-18)14-26-13-11-22-21(26)20-19(15-8-4-3-5-9-15)24-17-10-6-7-12-27(17)20/h3-13H,2,14H2,1H3
InChIKey:
IPUGAOBQVDFFPN-UHFFFAOYSA-N

Cite this record

CBID:341642 http://www.chembase.cn/molecule-341642.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-ethyl-3-[(2-{2-phenylimidazo[1,2-a]pyridin-3-yl}-1H-imidazol-1-yl)methyl]-1,2,4-oxadiazole
IUPAC Traditional name
5-ethyl-3-[(2-{2-phenylimidazo[1,2-a]pyridin-3-yl}imidazol-1-yl)methyl]-1,2,4-oxadiazole
Synonyms
3-{1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazol-2-yl}-2-phenylimidazo[1,2-a]pyridine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 14048135 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) 3.5657516  LogD (pH = 7.4) 3.8602302 
Log P 3.8658204  Molar Refractivity 117.3382 cm3
Polarizability 41.3873 Å3 Polar Surface Area 74.04 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.79  LOG S -4.28 
Polar Surface Area 74.04 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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