2,2-difluoro-N-[(2S,3R)-1-fluoro-3-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]butan-2-yl]acetamide

C16H17F3N2O3 — CID 142806698

About 2,2-difluoro-N-[(2S,3R)-1-fluoro-3-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]butan-2-yl]acetamide

2,2-difluoro-N-[(2S,3R)-1-fluoro-3-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]butan-2-yl]acetamide (PubChem CID 142806698) has the molecular formula C16H17F3N2O3 and a molecular weight of 342.32 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2S,3R)-1-fluoro-3-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]butan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2,2-difluoro-N-[(2S,3R)-1-fluoro-3-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]butan-2-yl]acetamide
• PubChem CID: 142806698
• Molecular Formula: C16H17F3N2O3
• Molecular Weight: 342.32 g/mol
• Exact Mass: 342.12
• IUPAC Name: 2,2-difluoro-N-[(2S,3R)-1-fluoro-3-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]butan-2-yl]acetamide
• SMILES: C[C@H](c1ccc(-c2cc(CO)no2)cc1)[C@@H](CF)NC(=O)C(F)F
• InChI: InChI=1S/C16H17F3N2O3/c1-9(13(7-17)20-16(23)15(18)19)10-2-4-11(5-3-10)14-6-12(8-22)21-24-14/h2-6,9,13,15,22H,7-8H2,1H3,(H,20,23)/t9-,13-/m1/s1
• InChIKey: OEWQYYKHXPTOSE-NOZJJQNGSA-N
• XLogP: 2.66
• TPSA: 75.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.32
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(2S,3R)-1-fluoro-3-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]butan-2-yl]acetamide?

The IUPAC name of 2,2-difluoro-N-[(2S,3R)-1-fluoro-3-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]butan-2-yl]acetamide (CID 142806698) is 2,2-difluoro-N-[(2S,3R)-1-fluoro-3-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]butan-2-yl]acetamide.

What is the SMILES notation for 2,2-difluoro-N-[(2S,3R)-1-fluoro-3-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]butan-2-yl]acetamide?

The canonical SMILES for 2,2-difluoro-N-[(2S,3R)-1-fluoro-3-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]butan-2-yl]acetamide is C[C@H](c1ccc(-c2cc(CO)no2)cc1)[C@@H](CF)NC(=O)C(F)F.

What is the InChIKey of 2,2-difluoro-N-[(2S,3R)-1-fluoro-3-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]butan-2-yl]acetamide?

The InChIKey is OEWQYYKHXPTOSE-NOZJJQNGSA-N. The full InChI is InChI=1S/C16H17F3N2O3/c1-9(13(7-17)20-16(23)15(18)19)10-2-4-11(5-3-10)14-6-12(8-22)21-24-14/h2-6,9,13,15,22H,7-8H2,1H3,(H,20,23)/t9-,13-/m1/s1.

What are the key properties of 2,2-difluoro-N-[(2S,3R)-1-fluoro-3-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]butan-2-yl]acetamide?

2,2-difluoro-N-[(2S,3R)-1-fluoro-3-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]butan-2-yl]acetamide has a molecular weight of 342.32 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-N-[(2S,3R)-1-fluoro-3-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]butan-2-yl]acetamide is sourced from PubChem (CID 142806698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).