3-[3-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine

C21H17FN4O2 — CID 59255147

IUPAC3-[3-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cc(Cc2ccc(OCc3ccccn3)c(F)c2)no1
InChIInChI=1S/C21H17FN4O2/c22-18-11-14(6-7-19(18)27-13-15-4-1-2-8-24-15)10-16-12-20(28-26-16)17-5-3-9-25-21(17)23/h1-9,11-12H,10,13H2,(H2,23,25)
InChIKeySFGJZMVQXZKPCL-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.02
Rot. Bonds6

About 3-[3-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine

3-[3-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (PubChem CID 59255147) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 3-[3-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
PubChem CID59255147
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name3-[3-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cc(Cc2ccc(OCc3ccccn3)c(F)c2)no1
InChIInChI=1S/C21H17FN4O2/c22-18-11-14(6-7-19(18)27-13-15-4-1-2-8-24-15)10-16-12-20(28-26-16)17-5-3-9-25-21(17)23/h1-9,11-12H,10,13H2,(H2,23,25)
InChIKeySFGJZMVQXZKPCL-UHFFFAOYSA-N
XLogP4.02
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (CID 59255147) is 3-[3-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is Nc1ncccc1-c1cc(Cc2ccc(OCc3ccccn3)c(F)c2)no1.
What is the InChIKey of 3-[3-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The InChIKey is SFGJZMVQXZKPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c22-18-11-14(6-7-19(18)27-13-15-4-1-2-8-24-15)10-16-12-20(28-26-16)17-5-3-9-25-21(17)23/h1-9,11-12H,10,13H2,(H2,23,25).
What are the key properties of 3-[3-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
3-[3-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine has a molecular weight of 376.39 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 59255147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).