5-[5-(2-(18F)fluoroethoxy)-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine

C16H16FN3O2 — CID 71450131

IUPAC5-[5-(2-(18F)fluoroethoxy)-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2nc3cc(OCC[18F])ccc3o2)cn1
InChIInChI=1S/C16H16FN3O2/c1-20(2)15-6-3-11(10-18-15)16-19-13-9-12(21-8-7-17)4-5-14(13)22-16/h3-6,9-10H,7-8H2,1-2H3/i17-1
InChIKeyLSWZYWXTXXAWRH-SJPDSGJFSA-N
MW300.32 g/mol
LogP3.30
Rot. Bonds5

About 5-[5-(2-(18F)fluoroethoxy)-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine

5-[5-(2-(18F)fluoroethoxy)-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine (PubChem CID 71450131) has the molecular formula C16H16FN3O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 5-[5-(2-(18F)fluoroethoxy)-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[5-(2-(18F)fluoroethoxy)-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine
PubChem CID71450131
Molecular FormulaC16H16FN3O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name5-[5-(2-(18F)fluoroethoxy)-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2nc3cc(OCC[18F])ccc3o2)cn1
InChIInChI=1S/C16H16FN3O2/c1-20(2)15-6-3-11(10-18-15)16-19-13-9-12(21-8-7-17)4-5-14(13)22-16/h3-6,9-10H,7-8H2,1-2H3/i17-1
InChIKeyLSWZYWXTXXAWRH-SJPDSGJFSA-N
XLogP3.30
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-(18F)fluoroethoxy)-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[5-(2-(18F)fluoroethoxy)-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine (CID 71450131) is 5-[5-(2-(18F)fluoroethoxy)-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[5-(2-(18F)fluoroethoxy)-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[5-(2-(18F)fluoroethoxy)-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine is CN(C)c1ccc(-c2nc3cc(OCC[18F])ccc3o2)cn1.
What is the InChIKey of 5-[5-(2-(18F)fluoroethoxy)-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine?
The InChIKey is LSWZYWXTXXAWRH-SJPDSGJFSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-20(2)15-6-3-11(10-18-15)16-19-13-9-12(21-8-7-17)4-5-14(13)22-16/h3-6,9-10H,7-8H2,1-2H3/i17-1.
What are the key properties of 5-[5-(2-(18F)fluoroethoxy)-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine?
5-[5-(2-(18F)fluoroethoxy)-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine has a molecular weight of 300.32 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-(18F)fluoroethoxy)-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 71450131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).