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N-(2-hydroxypropyl)-3-{5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl}propanamide

ChemBase ID: 470485
Molecular Formular: C21H23N3O3
Molecular Mass: 365.42562
Monoisotopic Mass: 365.17394161
SMILES and InChIs

SMILES:
n1nc(oc1Cc1ccc(c2ccccc2)cc1)CCC(=O)NCC(O)C
Canonical SMILES:
CC(CNC(=O)CCc1nnc(o1)Cc1ccc(cc1)c1ccccc1)O
InChI:
InChI=1S/C21H23N3O3/c1-15(25)14-22-19(26)11-12-20-23-24-21(27-20)13-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,25H,11-14H2,1H3,(H,22,26)
InChIKey:
XWUZRDLWSIWVAI-UHFFFAOYSA-N

Cite this record

CBID:470485 http://www.chembase.cn/molecule-470485.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-hydroxypropyl)-3-{5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl}propanamide
IUPAC Traditional name
N-(2-hydroxypropyl)-3-{5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl}propanamide
Synonyms
3-[5-(4-biphenylylmethyl)-1,3,4-oxadiazol-2-yl]-N-(2-hydroxypropyl)propanamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 33962202 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

供应商提供(Chembridge) JChem
Log P 0.8  LOG S -4.85 
Polar Surface Area 88.25 Å2 Rotatable Bonds
H Acceptors H Donor
Molar Refractivity 104.0464 cm3 Polarizability 40.6057 Å3
Polar Surface Area 88.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 14.671111 
H Acceptors H Donor
LogD (pH = 5.5) 1.6504493  LogD (pH = 7.4) 1.6504494 
Log P 1.6504494 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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