N-[[(5S)-3-[4-[5-(difluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C16H15F3N4O3 — CID 141476851

About N-[[(5S)-3-[4-[5-(difluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[5-(difluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 141476851) has the molecular formula C16H15F3N4O3 and a molecular weight of 368.32 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[5-(difluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[4-[5-(difluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 141476851
• Molecular Formula: C16H15F3N4O3
• Molecular Weight: 368.32 g/mol
• Exact Mass: 368.11
• IUPAC Name: N-[[(5S)-3-[4-[5-(difluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(-n3nccc3C(F)F)c(F)c2)C(=O)O1
• InChI: InChI=1S/C16H15F3N4O3/c1-9(24)20-7-11-8-22(16(25)26-11)10-2-3-13(12(17)6-10)23-14(15(18)19)4-5-21-23/h2-6,11,15H,7-8H2,1H3,(H,20,24)/t11-/m0/s1
• InChIKey: KLHBPRTXSGOIPE-NSHDSACASA-N
• XLogP: 2.41
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.32
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[5-(difluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[4-[5-(difluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 141476851) is N-[[(5S)-3-[4-[5-(difluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[4-[5-(difluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[4-[5-(difluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-n3nccc3C(F)F)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[(5S)-3-[4-[5-(difluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is KLHBPRTXSGOIPE-NSHDSACASA-N. The full InChI is InChI=1S/C16H15F3N4O3/c1-9(24)20-7-11-8-22(16(25)26-11)10-2-3-13(12(17)6-10)23-14(15(18)19)4-5-21-23/h2-6,11,15H,7-8H2,1H3,(H,20,24)/t11-/m0/s1.

What are the key properties of N-[[(5S)-3-[4-[5-(difluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[4-[5-(difluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 368.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[4-[5-(difluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 141476851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).