5-[4-[8-[4-chloro-2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-4,5-dihydro-1,3-oxazole

C24H22ClF3N4O2 — CID 67953752

About 5-[4-[8-[4-chloro-2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-4,5-dihydro-1,3-oxazole

5-[4-[8-[4-chloro-2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 67953752) has the molecular formula C24H22ClF3N4O2 and a molecular weight of 490.91 g/mol. Its IUPAC name is 5-[4-[8-[4-chloro-2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

• Compound Name: 5-[4-[8-[4-chloro-2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-4,5-dihydro-1,3-oxazole
• PubChem CID: 67953752
• Molecular Formula: C24H22ClF3N4O2
• Molecular Weight: 490.91 g/mol
• Exact Mass: 490.14
• IUPAC Name: 5-[4-[8-[4-chloro-2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-4,5-dihydro-1,3-oxazole
• SMILES: COc1cc(-c2nnc3n2CCCC3c2ccc(Cl)cc2C(F)(F)F)ccc1C1CN=C(C)O1
• InChI: InChI=1S/C24H22ClF3N4O2/c1-13-29-12-21(34-13)18-7-5-14(10-20(18)33-2)22-30-31-23-17(4-3-9-32(22)23)16-8-6-15(25)11-19(16)24(26,27)28/h5-8,10-11,17,21H,3-4,9,12H2,1-2H3
• InChIKey: XZSDDQCRYWWYLD-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 61.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.91
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-[8-[4-chloro-2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-4,5-dihydro-1,3-oxazole?

The IUPAC name of 5-[4-[8-[4-chloro-2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-4,5-dihydro-1,3-oxazole (CID 67953752) is 5-[4-[8-[4-chloro-2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-4,5-dihydro-1,3-oxazole.

What is the SMILES notation for 5-[4-[8-[4-chloro-2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-4,5-dihydro-1,3-oxazole?

The canonical SMILES for 5-[4-[8-[4-chloro-2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-4,5-dihydro-1,3-oxazole is COc1cc(-c2nnc3n2CCCC3c2ccc(Cl)cc2C(F)(F)F)ccc1C1CN=C(C)O1.

What is the InChIKey of 5-[4-[8-[4-chloro-2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-4,5-dihydro-1,3-oxazole?

The InChIKey is XZSDDQCRYWWYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF3N4O2/c1-13-29-12-21(34-13)18-7-5-14(10-20(18)33-2)22-30-31-23-17(4-3-9-32(22)23)16-8-6-15(25)11-19(16)24(26,27)28/h5-8,10-11,17,21H,3-4,9,12H2,1-2H3.

What are the key properties of 5-[4-[8-[4-chloro-2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-4,5-dihydro-1,3-oxazole?

5-[4-[8-[4-chloro-2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 490.91 g/mol, XLogP of 6.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[8-[4-chloro-2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 67953752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).