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

{[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl){[4-(1H-pyrazol-1-yl)phenyl]methyl}amine

ChemBase ID: 410077
Molecular Formular: C27H26N4O2
Molecular Mass: 438.52094
Monoisotopic Mass: 438.20557609
SMILES and InChIs

SMILES:
c1(nc(c(o1)C)CN(Cc1ccc(n2nccc2)cc1)C)c1c2c(c(cc1)OC)cccc2
Canonical SMILES:
COc1ccc(c2c1cccc2)c1oc(c(n1)CN(Cc1ccc(cc1)n1cccn1)C)C
InChI:
InChI=1S/C27H26N4O2/c1-19-25(18-30(2)17-20-9-11-21(12-10-20)31-16-6-15-28-31)29-27(33-19)24-13-14-26(32-3)23-8-5-4-7-22(23)24/h4-16H,17-18H2,1-3H3
InChIKey:
ISKCAUQKARGDAY-UHFFFAOYSA-N

Cite this record

CBID:410077 http://www.chembase.cn/molecule-410077.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl){[4-(1H-pyrazol-1-yl)phenyl]methyl}amine
IUPAC Traditional name
{[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl){[4-(pyrazol-1-yl)phenyl]methyl}amine
Synonyms
1-[2-(4-methoxy-1-naphthyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[4-(1H-pyrazol-1-yl)benzyl]methanamine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 24349652 external link Add to cart
Data Source Data ID Price
ChemBridge
24349652 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 2.9193647  LogD (pH = 7.4) 4.508528 
Log P 4.804435  Molar Refractivity 140.9269 cm3
Polarizability 52.17625 Å3 Polar Surface Area 56.32 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.99  LOG S -5.47 
Polar Surface Area 56.32 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