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

C22H15FN4O2 — CID 23647339

IUPAC4-(4-fluorophenyl)-5-[3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole
SMILESCOc1ccccc1-c1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cn12
InChIInChI=1S/C22H15FN4O2/c1-28-18-5-3-2-4-17(18)22-26-25-19-11-8-15(12-27(19)22)21-20(24-13-29-21)14-6-9-16(23)10-7-14/h2-13H,1H3
InChIKeyDTVJMDGVZOSSLI-UHFFFAOYSA-N
MW386.39 g/mol
LogP4.87
Rot. Bonds4

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

4-(4-fluorophenyl)-5-[3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole (PubChem CID 23647339) has the molecular formula C22H15FN4O2 and a molecular weight of 386.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole
PubChem CID23647339
Molecular FormulaC22H15FN4O2
Molecular Weight386.39 g/mol
Exact Mass386.12
IUPAC Name4-(4-fluorophenyl)-5-[3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole
SMILESCOc1ccccc1-c1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cn12
InChIInChI=1S/C22H15FN4O2/c1-28-18-5-3-2-4-17(18)22-26-25-19-11-8-15(12-27(19)22)21-20(24-13-29-21)14-6-9-16(23)10-7-14/h2-13H,1H3
InChIKeyDTVJMDGVZOSSLI-UHFFFAOYSA-N
XLogP4.87
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(4-fluorophenyl)-5-[3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-[3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole?
The IUPAC name of 4-(4-fluorophenyl)-5-[3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole (CID 23647339) is 4-(4-fluorophenyl)-5-[3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole?
The canonical SMILES for 4-(4-fluorophenyl)-5-[3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole is COc1ccccc1-c1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cn12.
What is the InChIKey of 4-(4-fluorophenyl)-5-[3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole?
The InChIKey is DTVJMDGVZOSSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4O2/c1-28-18-5-3-2-4-17(18)22-26-25-19-11-8-15(12-27(19)22)21-20(24-13-29-21)14-6-9-16(23)10-7-14/h2-13H,1H3.
What are the key properties of 4-(4-fluorophenyl)-5-[3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole?
4-(4-fluorophenyl)-5-[3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole has a molecular weight of 386.39 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole is sourced from PubChem (CID 23647339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).