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

C20H17F2N5O2 — CID 51315733

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

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide (PubChem CID 51315733) has the molecular formula C20H17F2N5O2 and a molecular weight of 397.39 g/mol. Its IUPAC name is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
• PubChem CID: 51315733
• Molecular Formula: C20H17F2N5O2
• Molecular Weight: 397.39 g/mol
• Exact Mass: 397.14
• IUPAC Name: 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
• SMILES: CC(NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1nnc2ccccn12
• InChI: InChI=1S/C20H17F2N5O2/c1-12(20-26-25-17-4-2-3-9-27(17)20)24-18(28)7-8-19-23-11-16(29-19)14-6-5-13(21)10-15(14)22/h2-6,9-12H,7-8H2,1H3,(H,24,28)
• InChIKey: BZVLTJQXIBFRMH-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 85.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.39
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide (CID 51315733) is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide.

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

The canonical SMILES for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide is CC(NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1nnc2ccccn12.

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

The InChIKey is BZVLTJQXIBFRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O2/c1-12(20-26-25-17-4-2-3-9-27(17)20)24-18(28)7-8-19-23-11-16(29-19)14-6-5-13(21)10-15(14)22/h2-6,9-12H,7-8H2,1H3,(H,24,28).

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

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide has a molecular weight of 397.39 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide is sourced from PubChem (CID 51315733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).