N-(5-chloro-1,3-thiazol-2-yl)-4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide;4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyrimidin-4-ylbenzamide

C31H28ClF2N7O6S — CID 91562084

About N-(5-chloro-1,3-thiazol-2-yl)-4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide;4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyrimidin-4-ylbenzamide

N-(5-chloro-1,3-thiazol-2-yl)-4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide;4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyrimidin-4-ylbenzamide (PubChem CID 91562084) has the molecular formula C31H28ClF2N7O6S and a molecular weight of 700.12 g/mol. Its IUPAC name is N-(5-chloro-1,3-thiazol-2-yl)-4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide;4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyrimidin-4-ylbenzamide.

Molecular Properties

• Compound Name: N-(5-chloro-1,3-thiazol-2-yl)-4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide;4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyrimidin-4-ylbenzamide
• PubChem CID: 91562084
• Molecular Formula: C31H28ClF2N7O6S
• Molecular Weight: 700.12 g/mol
• Exact Mass: 699.15
• IUPAC Name: N-(5-chloro-1,3-thiazol-2-yl)-4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide;4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyrimidin-4-ylbenzamide
• SMILES: CC[C@H]1CN(c2ccc(C(=O)Nc3ccncn3)c(F)c2)C(=O)O1.CC[C@H]1CN(c2ccc(C(=O)Nc3ncc(Cl)s3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C16H15FN4O3.C15H13ClFN3O3S/c1-2-11-8-21(16(23)24-11)10-3-4-12(13(17)7-10)15(22)20-14-5-6-18-9-19-14;1-2-9-7-20(15(22)23-9)8-3-4-10(11(17)5-8)13(21)19-14-18-6-12(16)24-14/h3-7,9,11H,2,8H2,1H3,(H,18,19,20,22);3-6,9H,2,7H2,1H3,(H,18,19,21)/t11-;9-/m00/s1
• InChIKey: OLDWDDFQVOPHCQ-UIAFZIJMSA-N
• XLogP: 6.53
• TPSA: 155.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.12
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide;4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyrimidin-4-ylbenzamide?

The IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide;4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyrimidin-4-ylbenzamide (CID 91562084) is N-(5-chloro-1,3-thiazol-2-yl)-4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide;4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyrimidin-4-ylbenzamide.

What is the SMILES notation for N-(5-chloro-1,3-thiazol-2-yl)-4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide;4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyrimidin-4-ylbenzamide?

The canonical SMILES for N-(5-chloro-1,3-thiazol-2-yl)-4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide;4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyrimidin-4-ylbenzamide is CC[C@H]1CN(c2ccc(C(=O)Nc3ccncn3)c(F)c2)C(=O)O1.CC[C@H]1CN(c2ccc(C(=O)Nc3ncc(Cl)s3)c(F)c2)C(=O)O1.

What is the InChIKey of N-(5-chloro-1,3-thiazol-2-yl)-4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide;4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyrimidin-4-ylbenzamide?

The InChIKey is OLDWDDFQVOPHCQ-UIAFZIJMSA-N. The full InChI is InChI=1S/C16H15FN4O3.C15H13ClFN3O3S/c1-2-11-8-21(16(23)24-11)10-3-4-12(13(17)7-10)15(22)20-14-5-6-18-9-19-14;1-2-9-7-20(15(22)23-9)8-3-4-10(11(17)5-8)13(21)19-14-18-6-12(16)24-14/h3-7,9,11H,2,8H2,1H3,(H,18,19,20,22);3-6,9H,2,7H2,1H3,(H,18,19,21)/t11-;9-/m00/s1.

What are the key properties of N-(5-chloro-1,3-thiazol-2-yl)-4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide;4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyrimidin-4-ylbenzamide?

N-(5-chloro-1,3-thiazol-2-yl)-4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide;4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyrimidin-4-ylbenzamide has a molecular weight of 700.12 g/mol, XLogP of 6.53, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-1,3-thiazol-2-yl)-4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide;4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyrimidin-4-ylbenzamide is sourced from PubChem (CID 91562084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).