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N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

ChemBase ID: 420105
Molecular Formular: C17H19N5O3
Molecular Mass: 341.36446
Monoisotopic Mass: 341.14878949
SMILES and InChIs

SMILES:
n1c(noc1CCC(=O)N(Cc1nnc(o1)CC)C)c1ccccc1
Canonical SMILES:
CCc1nnc(o1)CN(C(=O)CCc1onc(n1)c1ccccc1)C
InChI:
InChI=1S/C17H19N5O3/c1-3-13-19-20-15(24-13)11-22(2)16(23)10-9-14-18-17(21-25-14)12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3
InChIKey:
MLJJWFWDXXBTLP-UHFFFAOYSA-N

Cite this record

CBID:420105 http://www.chembase.cn/molecule-420105.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
IUPAC Traditional name
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
Synonyms
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

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)
H Acceptors H Donor
LogD (pH = 5.5) 1.4991369  LogD (pH = 7.4) 1.499137 
Log P 1.499137  Molar Refractivity 102.9676 cm3
Polarizability 34.484222 Å3 Polar Surface Area 98.15 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.85  LOG S -3.27 
Polar Surface Area 98.15 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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