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

C20H24FN3O4 — CID 71453771

IUPAC5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2nc3cc(OCCOCCOCCF)ccc3o2)cn1
InChIInChI=1S/C20H24FN3O4/c1-24(2)19-6-3-15(14-22-19)20-23-17-13-16(4-5-18(17)28-20)27-12-11-26-10-9-25-8-7-21/h3-6,13-14H,7-12H2,1-2H3
InChIKeyHBTICVCIITXGRS-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.34
Rot. Bonds11

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

5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine (PubChem CID 71453771) has the molecular formula C20H24FN3O4 and a molecular weight of 389.43 g/mol. Its IUPAC name is 5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine
PubChem CID71453771
Molecular FormulaC20H24FN3O4
Molecular Weight389.43 g/mol
Exact Mass389.18
IUPAC Name5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2nc3cc(OCCOCCOCCF)ccc3o2)cn1
InChIInChI=1S/C20H24FN3O4/c1-24(2)19-6-3-15(14-22-19)20-23-17-13-16(4-5-18(17)28-20)27-12-11-26-10-9-25-8-7-21/h3-6,13-14H,7-12H2,1-2H3
InChIKeyHBTICVCIITXGRS-UHFFFAOYSA-N
XLogP3.34
TPSA69.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine
CID 71462647
5-[5-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine
CID 71457286
5-[5-[2-(2-fluoroethoxy)ethoxy]-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine
CID 71459129
(2S)-1-[[2-[6-(dimethylamino)-3-pyridinyl]-1,3-benzoxazol-5-yl]oxy]-3-fluoropropan-2-ol
CID 122413455
4-[5-(3-fluoropropoxy)-1,3-benzoxazol-2-yl]-N,N-dimethylaniline
CID 144970947
2-[2-[2-[2-[2-[[6-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)oxymethyl]-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 177055878
(2R)-1-[[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]oxy]-3-fluoropropan-2-ol
CID 122413452
5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole
CID 118905431
CID 88546864
CID 88546864
5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N,N-dimethylpyridin-2-amine
CID 44555284
5-[6-(2-amino-3-fluoropropoxy)quinolin-2-yl]-N,N-dimethylpyridin-2-amine
CID 144834039
5-[[5-(methoxymethoxy)-2-pyridinyl]methoxy]-2-(6-methyl-3-pyridinyl)-1,3-benzoxazole
CID 166644722

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine (CID 71453771) is 5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine is CN(C)c1ccc(-c2nc3cc(OCCOCCOCCF)ccc3o2)cn1.
What is the InChIKey of 5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine?
The InChIKey is HBTICVCIITXGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4/c1-24(2)19-6-3-15(14-22-19)20-23-17-13-16(4-5-18(17)28-20)27-12-11-26-10-9-25-8-7-21/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of 5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine?
5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine has a molecular weight of 389.43 g/mol, XLogP of 3.34, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 71453771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).