4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline

C23H27FN2O4 — CID 58324111

IUPAC4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cnc(-c3ccc(OCCOCCOCCF)cc3)o2)cc1
InChIInChI=1S/C23H27FN2O4/c1-26(2)20-7-3-18(4-8-20)22-17-25-23(30-22)19-5-9-21(10-6-19)29-16-15-28-14-13-27-12-11-24/h3-10,17H,11-16H2,1-2H3
InChIKeyXQVNSFJYURHYFG-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.46
Rot. Bonds12

About 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline

4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline (PubChem CID 58324111) has the molecular formula C23H27FN2O4 and a molecular weight of 414.48 g/mol. Its IUPAC name is 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline
PubChem CID58324111
Molecular FormulaC23H27FN2O4
Molecular Weight414.48 g/mol
Exact Mass414.20
IUPAC Name4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cnc(-c3ccc(OCCOCCOCCF)cc3)o2)cc1
InChIInChI=1S/C23H27FN2O4/c1-26(2)20-7-3-18(4-8-20)22-17-25-23(30-22)19-5-9-21(10-6-19)29-16-15-28-14-13-27-12-11-24/h3-10,17H,11-16H2,1-2H3
InChIKeyXQVNSFJYURHYFG-UHFFFAOYSA-N
XLogP4.46
TPSA56.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline (CID 58324111) is 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2cnc(-c3ccc(OCCOCCOCCF)cc3)o2)cc1.
What is the InChIKey of 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline?
The InChIKey is XQVNSFJYURHYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O4/c1-26(2)20-7-3-18(4-8-20)22-17-25-23(30-22)19-5-9-21(10-6-19)29-16-15-28-14-13-27-12-11-24/h3-10,17H,11-16H2,1-2H3.
What are the key properties of 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline?
4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline has a molecular weight of 414.48 g/mol, XLogP of 4.46, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline is sourced from PubChem (CID 58324111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).