3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide

C22H20FN5O3 — CID 56524158

About 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide (PubChem CID 56524158) has the molecular formula C22H20FN5O3 and a molecular weight of 421.43 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide
• PubChem CID: 56524158
• Molecular Formula: C22H20FN5O3
• Molecular Weight: 421.43 g/mol
• Exact Mass: 421.16
• IUPAC Name: 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide
• SMILES: COc1ccc(-c2n[nH]c(CNC(=O)CCc3ncc(-c4ccccc4F)o3)n2)cc1
• InChI: InChI=1S/C22H20FN5O3/c1-30-15-8-6-14(7-9-15)22-26-19(27-28-22)13-24-20(29)10-11-21-25-12-18(31-21)16-4-2-3-5-17(16)23/h2-9,12H,10-11,13H2,1H3,(H,24,29)(H,26,27,28)
• InChIKey: YVGKIHWOUQXIMF-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 105.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.43
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide?

The IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide (CID 56524158) is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide.

What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide?

The canonical SMILES for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide is COc1ccc(-c2n[nH]c(CNC(=O)CCc3ncc(-c4ccccc4F)o3)n2)cc1.

What is the InChIKey of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide?

The InChIKey is YVGKIHWOUQXIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O3/c1-30-15-8-6-14(7-9-15)22-26-19(27-28-22)13-24-20(29)10-11-21-25-12-18(31-21)16-4-2-3-5-17(16)23/h2-9,12H,10-11,13H2,1H3,(H,24,29)(H,26,27,28).

What are the key properties of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide?

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide has a molecular weight of 421.43 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 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-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide is sourced from PubChem (CID 56524158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).