3-[3-[[6-[1-(2-fluorophenyl)ethoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine

C22H19FN4O2 — CID 138682482

IUPAC3-[3-[[6-[1-(2-fluorophenyl)ethoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESCC(Oc1ccc(Cc2cc(-c3cccnc3N)on2)cn1)c1ccccc1F
InChIInChI=1S/C22H19FN4O2/c1-14(17-5-2-3-7-19(17)23)28-21-9-8-15(13-26-21)11-16-12-20(29-27-16)18-6-4-10-25-22(18)24/h2-10,12-14H,11H2,1H3,(H2,24,25)
InChIKeyIZFUJDOXUMTKFZ-UHFFFAOYSA-N
MW390.42 g/mol
LogP4.58
Rot. Bonds6

About 3-[3-[[6-[1-(2-fluorophenyl)ethoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine

3-[3-[[6-[1-(2-fluorophenyl)ethoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (PubChem CID 138682482) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 3-[3-[[6-[1-(2-fluorophenyl)ethoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[[6-[1-(2-fluorophenyl)ethoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
PubChem CID138682482
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name3-[3-[[6-[1-(2-fluorophenyl)ethoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESCC(Oc1ccc(Cc2cc(-c3cccnc3N)on2)cn1)c1ccccc1F
InChIInChI=1S/C22H19FN4O2/c1-14(17-5-2-3-7-19(17)23)28-21-9-8-15(13-26-21)11-16-12-20(29-27-16)18-6-4-10-25-22(18)24/h2-10,12-14H,11H2,1H3,(H2,24,25)
InChIKeyIZFUJDOXUMTKFZ-UHFFFAOYSA-N
XLogP4.58
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[6-[1-(2-fluorophenyl)ethoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[[6-[1-(2-fluorophenyl)ethoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (CID 138682482) is 3-[3-[[6-[1-(2-fluorophenyl)ethoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[[6-[1-(2-fluorophenyl)ethoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[[6-[1-(2-fluorophenyl)ethoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is CC(Oc1ccc(Cc2cc(-c3cccnc3N)on2)cn1)c1ccccc1F.
What is the InChIKey of 3-[3-[[6-[1-(2-fluorophenyl)ethoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The InChIKey is IZFUJDOXUMTKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-14(17-5-2-3-7-19(17)23)28-21-9-8-15(13-26-21)11-16-12-20(29-27-16)18-6-4-10-25-22(18)24/h2-10,12-14H,11H2,1H3,(H2,24,25).
What are the key properties of 3-[3-[[6-[1-(2-fluorophenyl)ethoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
3-[3-[[6-[1-(2-fluorophenyl)ethoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine has a molecular weight of 390.42 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[6-[1-(2-fluorophenyl)ethoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 138682482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).