3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide

C21H19F2N3O4 — CID 38736078

About 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide (PubChem CID 38736078) has the molecular formula C21H19F2N3O4 and a molecular weight of 415.40 g/mol. Its IUPAC name is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide
• PubChem CID: 38736078
• Molecular Formula: C21H19F2N3O4
• Molecular Weight: 415.40 g/mol
• Exact Mass: 415.13
• IUPAC Name: 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide
• SMILES: CNC(=O)COc1cccc(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)c1
• InChI: InChI=1S/C21H19F2N3O4/c1-24-19(28)12-29-14-5-2-4-13(10-14)26-18(27)8-9-20-25-11-17(30-20)21-15(22)6-3-7-16(21)23/h2-7,10-11H,8-9,12H2,1H3,(H,24,28)(H,26,27)
• InChIKey: VDHBPJBUKTYFDU-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 93.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.40
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide?

The IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide (CID 38736078) is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide.

What is the SMILES notation for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide?

The canonical SMILES for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide is CNC(=O)COc1cccc(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)c1.

What is the InChIKey of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide?

The InChIKey is VDHBPJBUKTYFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O4/c1-24-19(28)12-29-14-5-2-4-13(10-14)26-18(27)8-9-20-25-11-17(30-20)21-15(22)6-3-7-16(21)23/h2-7,10-11H,8-9,12H2,1H3,(H,24,28)(H,26,27).

What are the key properties of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide?

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide has a molecular weight of 415.40 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide is sourced from PubChem (CID 38736078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).