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N-{2-[ethyl(3-methylphenyl)amino]ethyl}-5-methyl-1,3,4-oxadiazol-2-amine

ChemBase ID: 370837
Molecular Formular: C14H20N4O
Molecular Mass: 260.3348
Monoisotopic Mass: 260.16371128
SMILES and InChIs

SMILES:
o1c(nnc1C)NCCN(c1cc(ccc1)C)CC
Canonical SMILES:
CCN(c1cccc(c1)C)CCNc1nnc(o1)C
InChI:
InChI=1S/C14H20N4O/c1-4-18(13-7-5-6-11(2)10-13)9-8-15-14-17-16-12(3)19-14/h5-7,10H,4,8-9H2,1-3H3,(H,15,17)
InChIKey:
WPQVHTOEBBHYNP-UHFFFAOYSA-N

Cite this record

CBID:370837 http://www.chembase.cn/molecule-370837.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{2-[ethyl(3-methylphenyl)amino]ethyl}-5-methyl-1,3,4-oxadiazol-2-amine
IUPAC Traditional name
N-{2-[ethyl(3-methylphenyl)amino]ethyl}-5-methyl-1,3,4-oxadiazol-2-amine
Synonyms
N-ethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(3-methylphenyl)ethane-1,2-diamine

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 11.591579  H Acceptors
H Donor LogD (pH = 5.5) 1.9602052 
LogD (pH = 7.4) 2.0140104  Log P 2.0147724 
Molar Refractivity 79.3988 cm3 Polarizability 28.205309 Å3
Polar Surface Area 54.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.69  LOG S -3.32 
Polar Surface Area 54.19 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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