Home > Compound List > Compound details
 molecular structure
click picture or here to close

5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine

ChemBase ID: 470818
Molecular Formular: C18H14FN5O2
Molecular Mass: 351.3344632
Monoisotopic Mass: 351.11315293
SMILES and InChIs

SMILES:
n1c(noc1c1cnc(NCc2noc(c2)C)cc1)c1c(F)cccc1
Canonical SMILES:
Cc1onc(c1)CNc1ccc(cn1)c1onc(n1)c1ccccc1F
InChI:
InChI=1S/C18H14FN5O2/c1-11-8-13(23-25-11)10-21-16-7-6-12(9-20-16)18-22-17(24-26-18)14-4-2-3-5-15(14)19/h2-9H,10H2,1H3,(H,20,21)
InChIKey:
IJSPOQCGJPSGKI-UHFFFAOYSA-N

Cite this record

CBID:470818 http://www.chembase.cn/molecule-470818.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine
IUPAC Traditional name
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine
Synonyms
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-methyl-3-isoxazolyl)methyl]-2-pyridinamine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 34021677 external link Add to cart
Data Source Data ID Price
ChemBridge
34021677 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 17.182173  H Acceptors
H Donor LogD (pH = 5.5) 3.691982 
LogD (pH = 7.4) 3.7996235  Log P 3.8011937 
Molar Refractivity 116.4357 cm3 Polarizability 35.1136 Å3
Polar Surface Area 89.87 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.69  LOG S -5.55 
Polar Surface Area 89.87 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle