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2-(1-methyl-1H-imidazol-2-yl)-1-{[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl}piperidine
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ChemBase ID:
420258
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Molecular Formular:
C26H28N4O
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Molecular Mass:
412.52672
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Monoisotopic Mass:
412.22631154
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SMILES and InChIs
SMILES:
n1c(c(oc1c1ccc(cc1)c1ccccc1)C)CN1C(c2n(ccn2)C)CCCC1
Canonical SMILES:
Cc1oc(nc1CN1CCCCC1c1nccn1C)c1ccc(cc1)c1ccccc1
InChI:
InChI=1S/C26H28N4O/c1-19-23(18-30-16-7-6-10-24(30)25-27-15-17-29(25)2)28-26(31-19)22-13-11-21(12-14-22)20-8-4-3-5-9-20/h3-5,8-9,11-15,17,24H,6-7,10,16,18H2,1-2H3
InChIKey:
BQDBHXZVZKAXLX-UHFFFAOYSA-N
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Cite this record
CBID:420258 http://www.chembase.cn/molecule-420258.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-(1-methyl-1H-imidazol-2-yl)-1-{[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl}piperidine
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IUPAC Traditional name
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1-{[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl}-2-(1-methylimidazol-2-yl)piperidine
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Synonyms
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1-{[2-(4-biphenylyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-(1-methyl-1H-imidazol-2-yl)piperidine
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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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3
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H Donor
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0
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LogD (pH = 5.5)
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3.7489855
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LogD (pH = 7.4)
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4.7230806
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Log P
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4.7747307
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Molar Refractivity
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133.8538 cm3
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Polarizability
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49.381596 Å3
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Polar Surface Area
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47.09 Å2
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Rotatable Bonds
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5
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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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4.66
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LOG S
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-5.81
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Polar Surface Area
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47.09 Å2
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Rotatable Bonds
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5
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent