N-[1-(2,6-difluorophenyl)propan-2-yl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide

C17H21F2N3O2 — CID 87016546

About N-[1-(2,6-difluorophenyl)propan-2-yl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide

N-[1-(2,6-difluorophenyl)propan-2-yl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide (PubChem CID 87016546) has the molecular formula C17H21F2N3O2 and a molecular weight of 337.37 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)propan-2-yl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-[1-(2,6-difluorophenyl)propan-2-yl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide
• PubChem CID: 87016546
• Molecular Formula: C17H21F2N3O2
• Molecular Weight: 337.37 g/mol
• Exact Mass: 337.16
• IUPAC Name: N-[1-(2,6-difluorophenyl)propan-2-yl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide
• SMILES: Cc1cc(CN(C)CC(=O)NC(C)Cc2c(F)cccc2F)no1
• InChI: InChI=1S/C17H21F2N3O2/c1-11(7-14-15(18)5-4-6-16(14)19)20-17(23)10-22(3)9-13-8-12(2)24-21-13/h4-6,8,11H,7,9-10H2,1-3H3,(H,20,23)
• InChIKey: HHDLERVZMJOLPQ-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.37
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide?

The IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide (CID 87016546) is N-[1-(2,6-difluorophenyl)propan-2-yl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide.

What is the SMILES notation for N-[1-(2,6-difluorophenyl)propan-2-yl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide?

The canonical SMILES for N-[1-(2,6-difluorophenyl)propan-2-yl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide is Cc1cc(CN(C)CC(=O)NC(C)Cc2c(F)cccc2F)no1.

What is the InChIKey of N-[1-(2,6-difluorophenyl)propan-2-yl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide?

The InChIKey is HHDLERVZMJOLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O2/c1-11(7-14-15(18)5-4-6-16(14)19)20-17(23)10-22(3)9-13-8-12(2)24-21-13/h4-6,8,11H,7,9-10H2,1-3H3,(H,20,23).

What are the key properties of N-[1-(2,6-difluorophenyl)propan-2-yl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide?

N-[1-(2,6-difluorophenyl)propan-2-yl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide has a molecular weight of 337.37 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2,6-difluorophenyl)propan-2-yl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide is sourced from PubChem (CID 87016546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).