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

C17H13FN4O2 — CID 23647331

IUPAC5-(3-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(4-fluorophenyl)-1,3-oxazole
SMILESCCOc1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cn12
InChIInChI=1S/C17H13FN4O2/c1-2-23-17-21-20-14-8-5-12(9-22(14)17)16-15(19-10-24-16)11-3-6-13(18)7-4-11/h3-10H,2H2,1H3
InChIKeyAOYLIPWEHPGCGI-UHFFFAOYSA-N
MW324.32 g/mol
LogP3.59
Rot. Bonds4

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

5-(3-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(4-fluorophenyl)-1,3-oxazole (PubChem CID 23647331) has the molecular formula C17H13FN4O2 and a molecular weight of 324.32 g/mol. Its IUPAC name is 5-(3-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(4-fluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(3-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(4-fluorophenyl)-1,3-oxazole
PubChem CID23647331
Molecular FormulaC17H13FN4O2
Molecular Weight324.32 g/mol
Exact Mass324.10
IUPAC Name5-(3-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(4-fluorophenyl)-1,3-oxazole
SMILESCCOc1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cn12
InChIInChI=1S/C17H13FN4O2/c1-2-23-17-21-20-14-8-5-12(9-22(14)17)16-15(19-10-24-16)11-3-6-13(18)7-4-11/h3-10H,2H2,1H3
InChIKeyAOYLIPWEHPGCGI-UHFFFAOYSA-N
XLogP3.59
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(4-fluorophenyl)-1,3-oxazole?
The IUPAC name of 5-(3-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(4-fluorophenyl)-1,3-oxazole (CID 23647331) is 5-(3-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(4-fluorophenyl)-1,3-oxazole.
What is the SMILES notation for 5-(3-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(4-fluorophenyl)-1,3-oxazole?
The canonical SMILES for 5-(3-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(4-fluorophenyl)-1,3-oxazole is CCOc1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cn12.
What is the InChIKey of 5-(3-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(4-fluorophenyl)-1,3-oxazole?
The InChIKey is AOYLIPWEHPGCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2/c1-2-23-17-21-20-14-8-5-12(9-22(14)17)16-15(19-10-24-16)11-3-6-13(18)7-4-11/h3-10H,2H2,1H3.
What are the key properties of 5-(3-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(4-fluorophenyl)-1,3-oxazole?
5-(3-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(4-fluorophenyl)-1,3-oxazole has a molecular weight of 324.32 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(4-fluorophenyl)-1,3-oxazole is sourced from PubChem (CID 23647331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).