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

4-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2-[(4-methoxyphenyl)methyl]morpholine

ChemBase ID: 420110
Molecular Formular: C19H24N2O4
Molecular Mass: 344.40486
Monoisotopic Mass: 344.17360726
SMILES and InChIs

SMILES:
c1(C(=O)N2CC(OCC2)Cc2ccc(cc2)OC)c(onc1CC)C
Canonical SMILES:
CCc1noc(c1C(=O)N1CCOC(C1)Cc1ccc(cc1)OC)C
InChI:
InChI=1S/C19H24N2O4/c1-4-17-18(13(2)25-20-17)19(22)21-9-10-24-16(12-21)11-14-5-7-15(23-3)8-6-14/h5-8,16H,4,9-12H2,1-3H3
InChIKey:
RPQYCANVCGFNJO-UHFFFAOYSA-N

Cite this record

CBID:420110 http://www.chembase.cn/molecule-420110.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2-[(4-methoxyphenyl)methyl]morpholine
IUPAC Traditional name
4-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2-[(4-methoxyphenyl)methyl]morpholine
Synonyms
4-[(3-ethyl-5-methyl-4-isoxazolyl)carbonyl]-2-(4-methoxybenzyl)morpholine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 25925661 external link Add to cart
Data Source Data ID Price
ChemBridge
25925661 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) 2.3639736  LogD (pH = 7.4) 2.3639805 
Log P 2.3639808  Molar Refractivity 95.3154 cm3
Polarizability 35.829025 Å3 Polar Surface Area 64.8 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.34  LOG S -4.19 
Polar Surface Area 64.8 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