4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylaniline

C20H23FN2O4 — CID 71455420

IUPAC4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylaniline
SMILESCNc1ccc(-c2nc3cc(OCCOCCOCCF)ccc3o2)cc1
InChIInChI=1S/C20H23FN2O4/c1-22-16-4-2-15(3-5-16)20-23-18-14-17(6-7-19(18)27-20)26-13-12-25-11-10-24-9-8-21/h2-7,14,22H,8-13H2,1H3
InChIKeyUZMQIGLCNLQYDJ-UHFFFAOYSA-N
MW374.41 g/mol
LogP3.92
Rot. Bonds11

About 4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylaniline

4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylaniline (PubChem CID 71455420) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is 4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylaniline.

Molecular Properties

Compound Name4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylaniline
PubChem CID71455420
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylaniline
SMILESCNc1ccc(-c2nc3cc(OCCOCCOCCF)ccc3o2)cc1
InChIInChI=1S/C20H23FN2O4/c1-22-16-4-2-15(3-5-16)20-23-18-14-17(6-7-19(18)27-20)26-13-12-25-11-10-24-9-8-21/h2-7,14,22H,8-13H2,1H3
InChIKeyUZMQIGLCNLQYDJ-UHFFFAOYSA-N
XLogP3.92
TPSA65.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

BI 99179
CID 51346964
Benzenamine, 4-(2-benzoxazolyl)-
CID 88733
4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 350189
3-((7-Methyl-Benzoxazol-2-ylmethyl)amino)-5-ethyl-6-methlpyridin-2(1H)-one
CID 453443
N-[3-(2-Ethyl-benzooxazol-7-yl)-propyl]-acetamide
CID 22718561
2-(3-Fluoro-4-hydroxy-phenyl)-benzooxazol-5-ol
CID 135528620
N-[3-(2-Ethyl-benzooxazol-7-yl)-propyl]-butyramide
CID 9970584
N-[[(1R,2R)-2-[2-(4-phenylbutyl)-1,3-benzoxazol-7-yl]cyclopropyl]methyl]acetamide
CID 9998754
N-[3-(2-Ethyl-benzooxazol-7-yl)-propyl]-propionamide
CID 10015475
N-[3-(2-Methyl-benzooxazol-7-yl)-propyl]-propionamide
CID 10332159
N-{3-[2-(4-Phenyl-butyl)-benzooxazol-7-yl]-propyl}-propionamide
CID 10361427
N-[[(1R,2R)-2-[2-(4-phenylbutyl)-1,3-benzoxazol-7-yl]cyclopropyl]methyl]propanamide
CID 10452167

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylaniline?
The IUPAC name of 4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylaniline (CID 71455420) is 4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylaniline.
What is the SMILES notation for 4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylaniline?
The canonical SMILES for 4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylaniline is CNc1ccc(-c2nc3cc(OCCOCCOCCF)ccc3o2)cc1.
What is the InChIKey of 4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylaniline?
The InChIKey is UZMQIGLCNLQYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-22-16-4-2-15(3-5-16)20-23-18-14-17(6-7-19(18)27-20)26-13-12-25-11-10-24-9-8-21/h2-7,14,22H,8-13H2,1H3.
What are the key properties of 4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylaniline?
4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylaniline has a molecular weight of 374.41 g/mol, XLogP of 3.92, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylaniline is sourced from PubChem (CID 71455420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).