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2-(furan-2-yl)-5-{[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl}pyrimidine

ChemBase ID: 450176
Molecular Formular: C21H19N5O2
Molecular Mass: 373.40786
Monoisotopic Mass: 373.15387487
SMILES and InChIs

SMILES:
n1c(onc1c1ccccc1)C1N(Cc2cnc(nc2)c2occc2)CCC1
Canonical SMILES:
c1ccc(cc1)c1noc(n1)C1CCCN1Cc1cnc(nc1)c1ccco1
InChI:
InChI=1S/C21H19N5O2/c1-2-6-16(7-3-1)19-24-21(28-25-19)17-8-4-10-26(17)14-15-12-22-20(23-13-15)18-9-5-11-27-18/h1-3,5-7,9,11-13,17H,4,8,10,14H2
InChIKey:
OPEQSXOTBUSZMY-UHFFFAOYSA-N

Cite this record

CBID:450176 http://www.chembase.cn/molecule-450176.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(furan-2-yl)-5-{[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl}pyrimidine
IUPAC Traditional name
2-(furan-2-yl)-5-{[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl}pyrimidine
Synonyms
2-(2-furyl)-5-{[2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]methyl}pyrimidine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) 2.5647278  LogD (pH = 7.4) 3.881555 
Log P 4.008374  Molar Refractivity 126.3201 cm3
Polarizability 40.674976 Å3 Polar Surface Area 81.08 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.81  LOG S -3.31 
Polar Surface Area 81.08 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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