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

N-[3-(dimethyl-1,2-oxazol-4-yl)propyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide

ChemBase ID: 865511
Molecular Formular: C18H24FN3O2
Molecular Mass: 333.4004632
Monoisotopic Mass: 333.18525524
SMILES and InChIs

SMILES:
n1oc(c(c1C)CCCNC(=O)C(c1cc(F)ccc1)N(C)C)C
Canonical SMILES:
Fc1cccc(c1)C(C(=O)NCCCc1c(C)noc1C)N(C)C
InChI:
InChI=1S/C18H24FN3O2/c1-12-16(13(2)24-21-12)9-6-10-20-18(23)17(22(3)4)14-7-5-8-15(19)11-14/h5,7-8,11,17H,6,9-10H2,1-4H3,(H,20,23)
InChIKey:
PDVYPEJVKYNCHI-UHFFFAOYSA-N

Cite this record

CBID:865511 http://www.chembase.cn/molecule-865511.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[3-(dimethyl-1,2-oxazol-4-yl)propyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
IUPAC Traditional name
N-[3-(dimethyl-1,2-oxazol-4-yl)propyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
Synonyms
2-(dimethylamino)-N-[3-(3,5-dimethyl-4-isoxazolyl)propyl]-2-(3-fluorophenyl)acetamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 66690578 external link Add to cart
Data Source Data ID Price
ChemBridge
66690578 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 14.371457  H Acceptors
H Donor LogD (pH = 5.5) 0.8984653 
LogD (pH = 7.4) 2.1966064  Log P 2.3171976 
Molar Refractivity 92.5177 cm3 Polarizability 34.727215 Å3
Polar Surface Area 58.37 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.46  LOG S -3.73 
Polar Surface Area 58.37 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