5-[5-[2-(2-fluoroethoxy)ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine

C18H20FN3O3 — CID 71451948

IUPAC5-[5-[2-(2-fluoroethoxy)ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2nc3cc(OCCOCCF)ccc3o2)cn1
InChIInChI=1S/C18H20FN3O3/c1-22(2)17-6-3-13(12-20-17)18-21-15-11-14(4-5-16(15)25-18)24-10-9-23-8-7-19/h3-6,11-12H,7-10H2,1-2H3
InChIKeyWRWIQAIXUYCZDM-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.32
Rot. Bonds8

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

5-[5-[2-(2-fluoroethoxy)ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine (PubChem CID 71451948) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 5-[5-[2-(2-fluoroethoxy)ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[5-[2-(2-fluoroethoxy)ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine
PubChem CID71451948
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name5-[5-[2-(2-fluoroethoxy)ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2nc3cc(OCCOCCF)ccc3o2)cn1
InChIInChI=1S/C18H20FN3O3/c1-22(2)17-6-3-13(12-20-17)18-21-15-11-14(4-5-16(15)25-18)24-10-9-23-8-7-19/h3-6,11-12H,7-10H2,1-2H3
InChIKeyWRWIQAIXUYCZDM-UHFFFAOYSA-N
XLogP3.32
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.32
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 5-[5-[2-(2-fluoroethoxy)ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[5-[2-(2-fluoroethoxy)ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine (CID 71451948) is 5-[5-[2-(2-fluoroethoxy)ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[5-[2-(2-fluoroethoxy)ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[5-[2-(2-fluoroethoxy)ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine is CN(C)c1ccc(-c2nc3cc(OCCOCCF)ccc3o2)cn1.
What is the InChIKey of 5-[5-[2-(2-fluoroethoxy)ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine?
The InChIKey is WRWIQAIXUYCZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-22(2)17-6-3-13(12-20-17)18-21-15-11-14(4-5-16(15)25-18)24-10-9-23-8-7-19/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 5-[5-[2-(2-fluoroethoxy)ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine?
5-[5-[2-(2-fluoroethoxy)ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine has a molecular weight of 345.37 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-(2-fluoroethoxy)ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 71451948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).