3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide

C20H18FN5O2 — CID 18137319

About 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide (PubChem CID 18137319) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
• PubChem CID: 18137319
• Molecular Formula: C20H18FN5O2
• Molecular Weight: 379.40 g/mol
• Exact Mass: 379.14
• IUPAC Name: 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
• SMILES: O=C(CCc1ncc(-c2ccccc2F)o1)NCCc1nnc2ccccn12
• InChI: InChI=1S/C20H18FN5O2/c21-15-6-2-1-5-14(15)16-13-23-20(28-16)9-8-19(27)22-11-10-18-25-24-17-7-3-4-12-26(17)18/h1-7,12-13H,8-11H2,(H,22,27)
• InChIKey: HKKROXMCICBVEM-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 85.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.40
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?

The IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide (CID 18137319) is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide.

What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?

The canonical SMILES for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide is O=C(CCc1ncc(-c2ccccc2F)o1)NCCc1nnc2ccccn12.

What is the InChIKey of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?

The InChIKey is HKKROXMCICBVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c21-15-6-2-1-5-14(15)16-13-23-20(28-16)9-8-19(27)22-11-10-18-25-24-17-7-3-4-12-26(17)18/h1-7,12-13H,8-11H2,(H,22,27).

What are the key properties of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide has a molecular weight of 379.40 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide is sourced from PubChem (CID 18137319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).