2-[3-[3-fluoro-4-[4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide

C22H20FN3O4S — CID 174633803

About 2-[3-[3-fluoro-4-[4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide

2-[3-[3-fluoro-4-[4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide (PubChem CID 174633803) has the molecular formula C22H20FN3O4S and a molecular weight of 441.48 g/mol. Its IUPAC name is 2-[3-[3-fluoro-4-[4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide.

Molecular Properties

• Compound Name: 2-[3-[3-fluoro-4-[4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
• PubChem CID: 174633803
• Molecular Formula: C22H20FN3O4S
• Molecular Weight: 441.48 g/mol
• Exact Mass: 441.12
• IUPAC Name: 2-[3-[3-fluoro-4-[4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
• SMILES: CC(C(N)=O)C1CN(c2ccc(-c3ccc(-c4nc(CO)cs4)cc3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C22H20FN3O4S/c1-12(20(24)28)19-9-26(22(29)30-19)16-6-7-17(18(23)8-16)13-2-4-14(5-3-13)21-25-15(10-27)11-31-21/h2-8,11-12,19,27H,9-10H2,1H3,(H2,24,28)
• InChIKey: IPXVRSHNFLDRGK-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 105.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.48
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-fluoro-4-[4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide?

The IUPAC name of 2-[3-[3-fluoro-4-[4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide (CID 174633803) is 2-[3-[3-fluoro-4-[4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide.

What is the SMILES notation for 2-[3-[3-fluoro-4-[4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide?

The canonical SMILES for 2-[3-[3-fluoro-4-[4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide is CC(C(N)=O)C1CN(c2ccc(-c3ccc(-c4nc(CO)cs4)cc3)c(F)c2)C(=O)O1.

What is the InChIKey of 2-[3-[3-fluoro-4-[4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide?

The InChIKey is IPXVRSHNFLDRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O4S/c1-12(20(24)28)19-9-26(22(29)30-19)16-6-7-17(18(23)8-16)13-2-4-14(5-3-13)21-25-15(10-27)11-31-21/h2-8,11-12,19,27H,9-10H2,1H3,(H2,24,28).

What are the key properties of 2-[3-[3-fluoro-4-[4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide?

2-[3-[3-fluoro-4-[4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide has a molecular weight of 441.48 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-fluoro-4-[4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide is sourced from PubChem (CID 174633803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).