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

C19H22FN3O4 — CID 71462647

IUPAC5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine
SMILESCNc1ccc(-c2nc3cc(OCCOCCOCCF)ccc3o2)cn1
InChIInChI=1S/C19H22FN3O4/c1-21-18-5-2-14(13-22-18)19-23-16-12-15(3-4-17(16)27-19)26-11-10-25-9-8-24-7-6-20/h2-5,12-13H,6-11H2,1H3,(H,21,22)
InChIKeyXZOFXENTMWJTRV-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.31
Rot. Bonds11

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

5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine (PubChem CID 71462647) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is 5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine
PubChem CID71462647
Molecular FormulaC19H22FN3O4
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC Name5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine
SMILESCNc1ccc(-c2nc3cc(OCCOCCOCCF)ccc3o2)cn1
InChIInChI=1S/C19H22FN3O4/c1-21-18-5-2-14(13-22-18)19-23-16-12-15(3-4-17(16)27-19)26-11-10-25-9-8-24-7-6-20/h2-5,12-13H,6-11H2,1H3,(H,21,22)
InChIKeyXZOFXENTMWJTRV-UHFFFAOYSA-N
XLogP3.31
TPSA78.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
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-(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
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-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine?
The IUPAC name of 5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine (CID 71462647) is 5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine is CNc1ccc(-c2nc3cc(OCCOCCOCCF)ccc3o2)cn1.
What is the InChIKey of 5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine?
The InChIKey is XZOFXENTMWJTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4/c1-21-18-5-2-14(13-22-18)19-23-16-12-15(3-4-17(16)27-19)26-11-10-25-9-8-24-7-6-20/h2-5,12-13H,6-11H2,1H3,(H,21,22).
What are the key properties of 5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine?
5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine has a molecular weight of 375.40 g/mol, XLogP of 3.31, 11 rotatable bonds, 1 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-methylpyridin-2-amine is sourced from PubChem (CID 71462647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).