5-[3-(2-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(4-fluorophenyl)-1,3-oxazole

C23H17FN4O2 — CID 23647340

IUPAC5-[3-(2-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(4-fluorophenyl)-1,3-oxazole
SMILESCCOc1ccccc1-c1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cn12
InChIInChI=1S/C23H17FN4O2/c1-2-29-19-6-4-3-5-18(19)23-27-26-20-12-9-16(13-28(20)23)22-21(25-14-30-22)15-7-10-17(24)11-8-15/h3-14H,2H2,1H3
InChIKeyXYWQAMREXZFVOE-UHFFFAOYSA-N
MW400.41 g/mol
LogP5.26
Rot. Bonds5

About 5-[3-(2-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(4-fluorophenyl)-1,3-oxazole

5-[3-(2-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(4-fluorophenyl)-1,3-oxazole (PubChem CID 23647340) has the molecular formula C23H17FN4O2 and a molecular weight of 400.41 g/mol. Its IUPAC name is 5-[3-(2-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(4-fluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-[3-(2-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(4-fluorophenyl)-1,3-oxazole
PubChem CID23647340
Molecular FormulaC23H17FN4O2
Molecular Weight400.41 g/mol
Exact Mass400.13
IUPAC Name5-[3-(2-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(4-fluorophenyl)-1,3-oxazole
SMILESCCOc1ccccc1-c1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cn12
InChIInChI=1S/C23H17FN4O2/c1-2-29-19-6-4-3-5-18(19)23-27-26-20-12-9-16(13-28(20)23)22-21(25-14-30-22)15-7-10-17(24)11-8-15/h3-14H,2H2,1H3
InChIKeyXYWQAMREXZFVOE-UHFFFAOYSA-N
XLogP5.26
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.41
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(4-fluorophenyl)-1,3-oxazole?
The IUPAC name of 5-[3-(2-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(4-fluorophenyl)-1,3-oxazole (CID 23647340) is 5-[3-(2-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(4-fluorophenyl)-1,3-oxazole.
What is the SMILES notation for 5-[3-(2-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(4-fluorophenyl)-1,3-oxazole?
The canonical SMILES for 5-[3-(2-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(4-fluorophenyl)-1,3-oxazole is CCOc1ccccc1-c1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cn12.
What is the InChIKey of 5-[3-(2-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(4-fluorophenyl)-1,3-oxazole?
The InChIKey is XYWQAMREXZFVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O2/c1-2-29-19-6-4-3-5-18(19)23-27-26-20-12-9-16(13-28(20)23)22-21(25-14-30-22)15-7-10-17(24)11-8-15/h3-14H,2H2,1H3.
What are the key properties of 5-[3-(2-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(4-fluorophenyl)-1,3-oxazole?
5-[3-(2-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(4-fluorophenyl)-1,3-oxazole has a molecular weight of 400.41 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(4-fluorophenyl)-1,3-oxazole is sourced from PubChem (CID 23647340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).