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N-[1-(6-methylpyridin-2-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine

ChemBase ID: 866286
Molecular Formular: C14H20N4O
Molecular Mass: 260.3348
Monoisotopic Mass: 260.16371128
SMILES and InChIs

SMILES:
c1(oc(nn1)CCC)NC(c1nc(ccc1)C)CC
Canonical SMILES:
CCCc1nnc(o1)NC(c1cccc(n1)C)CC
InChI:
InChI=1S/C14H20N4O/c1-4-7-13-17-18-14(19-13)16-11(5-2)12-9-6-8-10(3)15-12/h6,8-9,11H,4-5,7H2,1-3H3,(H,16,18)
InChIKey:
HAKWBPUFCDYMFH-UHFFFAOYSA-N

Cite this record

CBID:866286 http://www.chembase.cn/molecule-866286.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[1-(6-methylpyridin-2-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine
IUPAC Traditional name
N-[1-(6-methylpyridin-2-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine
Synonyms
N-[1-(6-methylpyridin-2-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 66830292 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 9.203652  H Acceptors
H Donor LogD (pH = 5.5) 2.1892538 
LogD (pH = 7.4) 2.1843483  Log P 2.1908123 
Molar Refractivity 75.8622 cm3 Polarizability 28.007492 Å3
Polar Surface Area 63.84 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.28  LOG S -1.75 
Polar Surface Area 63.84 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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