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

C17H18FN3O3 — CID 71459129

IUPAC5-[5-[2-(2-fluoroethoxy)ethoxy]-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine
SMILESCNc1ccc(-c2nc3cc(OCCOCCF)ccc3o2)cn1
InChIInChI=1S/C17H18FN3O3/c1-19-16-5-2-12(11-20-16)17-21-14-10-13(3-4-15(14)24-17)23-9-8-22-7-6-18/h2-5,10-11H,6-9H2,1H3,(H,19,20)
InChIKeyDCYAMBGYXCNVQZ-UHFFFAOYSA-N
MW331.35 g/mol
LogP3.30
Rot. Bonds8

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

5-[5-[2-(2-fluoroethoxy)ethoxy]-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine (PubChem CID 71459129) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 5-[5-[2-(2-fluoroethoxy)ethoxy]-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[5-[2-(2-fluoroethoxy)ethoxy]-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine
PubChem CID71459129
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name5-[5-[2-(2-fluoroethoxy)ethoxy]-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine
SMILESCNc1ccc(-c2nc3cc(OCCOCCF)ccc3o2)cn1
InChIInChI=1S/C17H18FN3O3/c1-19-16-5-2-12(11-20-16)17-21-14-10-13(3-4-15(14)24-17)23-9-8-22-7-6-18/h2-5,10-11H,6-9H2,1H3,(H,19,20)
InChIKeyDCYAMBGYXCNVQZ-UHFFFAOYSA-N
XLogP3.30
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine
CID 71453771
4-[5-(3-fluoropropoxy)-1,3-benzoxazol-2-yl]-N,N-dimethylaniline
CID 144970947
4-[6-(3-fluoropropoxy)-1,3-benzoxazol-2-yl]-N-methylaniline
CID 144970941
N-(2-fluoroethyl)-5-[6-(tritritiomethoxy)-1,3-benzoxazol-2-yl]pyridin-2-amine
CID 70695505
(2S)-1-[[2-[6-(dimethylamino)-3-pyridinyl]-1,3-benzoxazol-5-yl]oxy]-3-fluoropropan-2-ol
CID 122413455
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
(2S)-1-[[2-[4-(methylamino)phenyl]-1,3-benzoxazol-5-yl]oxy]butan-2-ol
CID 129018172
(2R)-3-[[2-[4-(methylamino)phenyl]-1,3-benzoxazol-5-yl]oxy]propane-1,2-diol
CID 122413458
(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

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-(2-fluoroethoxy)ethoxy]-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine?
The IUPAC name of 5-[5-[2-(2-fluoroethoxy)ethoxy]-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine (CID 71459129) is 5-[5-[2-(2-fluoroethoxy)ethoxy]-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[5-[2-(2-fluoroethoxy)ethoxy]-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-[5-[2-(2-fluoroethoxy)ethoxy]-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine is CNc1ccc(-c2nc3cc(OCCOCCF)ccc3o2)cn1.
What is the InChIKey of 5-[5-[2-(2-fluoroethoxy)ethoxy]-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine?
The InChIKey is DCYAMBGYXCNVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-19-16-5-2-12(11-20-16)17-21-14-10-13(3-4-15(14)24-17)23-9-8-22-7-6-18/h2-5,10-11H,6-9H2,1H3,(H,19,20).
What are the key properties of 5-[5-[2-(2-fluoroethoxy)ethoxy]-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine?
5-[5-[2-(2-fluoroethoxy)ethoxy]-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine has a molecular weight of 331.35 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 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-methylpyridin-2-amine is sourced from PubChem (CID 71459129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).