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N-butyl-3-{5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-methylpropanamide

ChemBase ID: 370511
Molecular Formular: C19H27N3O3
Molecular Mass: 345.43598
Monoisotopic Mass: 345.20524174
SMILES and InChIs

SMILES:
n1nc(oc1CCc1c(OC)cccc1)CCC(=O)N(CCCC)C
Canonical SMILES:
CCCCN(C(=O)CCc1nnc(o1)CCc1ccccc1OC)C
InChI:
InChI=1S/C19H27N3O3/c1-4-5-14-22(2)19(23)13-12-18-21-20-17(25-18)11-10-15-8-6-7-9-16(15)24-3/h6-9H,4-5,10-14H2,1-3H3
InChIKey:
FMXOKSCUDWXAAC-UHFFFAOYSA-N

Cite this record

CBID:370511 http://www.chembase.cn/molecule-370511.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-butyl-3-{5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-methylpropanamide
IUPAC Traditional name
N-butyl-3-{5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-methylpropanamide
Synonyms
N-butyl-3-{5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-methylpropanamide

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) 2.1112235  LogD (pH = 7.4) 2.1112235 
Log P 2.1112235  Molar Refractivity 98.0336 cm3
Polarizability 37.027065 Å3 Polar Surface Area 68.46 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.09  LOG S -4.0 
Polar Surface Area 68.46 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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