3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one

C22H25FN4O4 — CID 67382281

About 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one

3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 67382281) has the molecular formula C22H25FN4O4 and a molecular weight of 428.46 g/mol. Its IUPAC name is 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
• PubChem CID: 67382281
• Molecular Formula: C22H25FN4O4
• Molecular Weight: 428.46 g/mol
• Exact Mass: 428.19
• IUPAC Name: 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
• SMILES: Cc1cnc(N2CCN(C(=O)c3ccc(N4C(=O)OCC4CO)c(F)c3)CC2)c(C)c1
• InChI: InChI=1S/C22H25FN4O4/c1-14-9-15(2)20(24-11-14)25-5-7-26(8-6-25)21(29)16-3-4-19(18(23)10-16)27-17(12-28)13-31-22(27)30/h3-4,9-11,17,28H,5-8,12-13H2,1-2H3
• InChIKey: PGMVQWZPMQVGFI-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 86.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.46
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one?

The IUPAC name of 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 67382281) is 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one is Cc1cnc(N2CCN(C(=O)c3ccc(N4C(=O)OCC4CO)c(F)c3)CC2)c(C)c1.

What is the InChIKey of 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one?

The InChIKey is PGMVQWZPMQVGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O4/c1-14-9-15(2)20(24-11-14)25-5-7-26(8-6-25)21(29)16-3-4-19(18(23)10-16)27-17(12-28)13-31-22(27)30/h3-4,9-11,17,28H,5-8,12-13H2,1-2H3.

What are the key properties of 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one?

3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 428.46 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67382281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).