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1-[(5-{3-phenyl-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl}furan-2-yl)methyl]-1H-imidazole

ChemBase ID: 340143
Molecular Formular: C21H18N4O3
Molecular Mass: 374.39262
Monoisotopic Mass: 374.13789046
SMILES and InChIs

SMILES:
c12c(noc2CCN(C(=O)c2oc(cc2)Cn2cncc2)C1)c1ccccc1
Canonical SMILES:
O=C(c1ccc(o1)Cn1cncc1)N1CCc2c(C1)c(no2)c1ccccc1
InChI:
InChI=1S/C21H18N4O3/c26-21(19-7-6-16(27-19)12-24-11-9-22-14-24)25-10-8-18-17(13-25)20(23-28-18)15-4-2-1-3-5-15/h1-7,9,11,14H,8,10,12-13H2
InChIKey:
QMEUBKSYMRNXIF-UHFFFAOYSA-N

Cite this record

CBID:340143 http://www.chembase.cn/molecule-340143.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[(5-{3-phenyl-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl}furan-2-yl)methyl]-1H-imidazole
IUPAC Traditional name
1-[(5-{3-phenyl-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl}furan-2-yl)methyl]imidazole
Synonyms
5-[5-(1H-imidazol-1-ylmethyl)-2-furoyl]-3-phenyl-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine

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) 1.4082714  LogD (pH = 7.4) 1.8728565 
Log P 1.9344475  Molar Refractivity 103.7786 cm3
Polarizability 39.52498 Å3 Polar Surface Area 77.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.0  LOG S -2.78 
Polar Surface Area 77.3 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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