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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
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ChemBase ID:
320424
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Molecular Formular:
C19H23N5O
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Molecular Mass:
337.41882
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Monoisotopic Mass:
337.19026038
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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
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Cite this record
CBID:320424 http://www.chembase.cn/molecule-320424.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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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
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IUPAC Traditional name
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2-(1-{[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-2-yl)pyridine
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Synonyms
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2-(1-{[5-(1,5-dimethyl-1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl}-2-piperidinyl)pyridine
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
H Acceptors
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4
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H Donor
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0
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LogD (pH = 5.5)
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1.2212206
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LogD (pH = 7.4)
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2.0359068
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Log P
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2.0677366
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Molar Refractivity
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108.4584 cm3
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Polarizability
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37.484383 Å3
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Polar Surface Area
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59.98 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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true
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H Acceptors
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5
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H Donor
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0
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Log P
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0.95
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LOG S
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-0.16
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Polar Surface Area
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59.98 Å2
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Rotatable Bonds
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4
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent