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2-(1-{[5-(1,5-dimethyl-1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-2-yl)pyridine

ChemBase ID: 320424
Molecular Formular: C19H23N5O
Molecular Mass: 337.41882
Monoisotopic Mass: 337.19026038
SMILES and InChIs

SMILES:
c1(c2n(c(cc2)C)C)nnc(o1)CN1C(c2ncccc2)CCCC1
Canonical SMILES:
Cc1ccc(n1C)c1nnc(o1)CN1CCCCC1c1ccccn1
InChI:
InChI=1S/C19H23N5O/c1-14-9-10-17(23(14)2)19-22-21-18(25-19)13-24-12-6-4-8-16(24)15-7-3-5-11-20-15/h3,5,7,9-11,16H,4,6,8,12-13H2,1-2H3
InChIKey:
WFWHTVBAIZWXIP-UHFFFAOYSA-N

Cite this record

CBID:320424 http://www.chembase.cn/molecule-320424.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(1-{[5-(1,5-dimethyl-1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-2-yl)pyridine
IUPAC Traditional name
2-(1-{[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-2-yl)pyridine
Synonyms
2-(1-{[5-(1,5-dimethyl-1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl}-2-piperidinyl)pyridine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 1.2212206  LogD (pH = 7.4) 2.0359068 
Log P 2.0677366  Molar Refractivity 108.4584 cm3
Polarizability 37.484383 Å3 Polar Surface Area 59.98 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.95  LOG S -0.16 
Polar Surface Area 59.98 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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