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1-(3-hydroxypiperidin-1-yl)-3-{5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl}propan-1-one

ChemBase ID: 320604
Molecular Formular: C23H25N3O3
Molecular Mass: 391.4629
Monoisotopic Mass: 391.18959168
SMILES and InChIs

SMILES:
n1nc(oc1Cc1ccc(c2ccccc2)cc1)CCC(=O)N1CC(O)CCC1
Canonical SMILES:
OC1CCCN(C1)C(=O)CCc1nnc(o1)Cc1ccc(cc1)c1ccccc1
InChI:
InChI=1S/C23H25N3O3/c27-20-7-4-14-26(16-20)23(28)13-12-21-24-25-22(29-21)15-17-8-10-19(11-9-17)18-5-2-1-3-6-18/h1-3,5-6,8-11,20,27H,4,7,12-16H2
InChIKey:
PHLJTPOLVAUWMS-UHFFFAOYSA-N

Cite this record

CBID:320604 http://www.chembase.cn/molecule-320604.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(3-hydroxypiperidin-1-yl)-3-{5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl}propan-1-one
IUPAC Traditional name
1-(3-hydroxypiperidin-1-yl)-3-{5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl}propan-1-one
Synonyms
1-{3-[5-(4-biphenylylmethyl)-1,3,4-oxadiazol-2-yl]propanoyl}-3-piperidinol

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)
Acid pKa 14.867497  H Acceptors
H Donor LogD (pH = 5.5) 1.9231149 
LogD (pH = 7.4) 1.923115  Log P 1.923115 
Molar Refractivity 111.7355 cm3 Polarizability 43.560696 Å3
Polar Surface Area 79.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.99  LOG S -4.99 
Polar Surface Area 79.46 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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