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

C22H24F2N4O3 — CID 67382286

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

3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 67382286) has the molecular formula C22H24F2N4O3 and a molecular weight of 430.46 g/mol. Its IUPAC name is 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]-5-methyl-1,3-oxazolidin-2-one
• PubChem CID: 67382286
• Molecular Formula: C22H24F2N4O3
• Molecular Weight: 430.46 g/mol
• Exact Mass: 430.18
• IUPAC Name: 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]-5-methyl-1,3-oxazolidin-2-one
• SMILES: Cc1cnc(N2CCN(C(=O)c3c(F)cc(N4CC(C)OC4=O)cc3F)CC2)c(C)c1
• InChI: InChI=1S/C22H24F2N4O3/c1-13-8-14(2)20(25-11-13)26-4-6-27(7-5-26)21(29)19-17(23)9-16(10-18(19)24)28-12-15(3)31-22(28)30/h8-11,15H,4-7,12H2,1-3H3
• InChIKey: JFSIBHIIHLOLMK-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 65.98 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.46
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]-5-methyl-1,3-oxazolidin-2-one (CID 67382286) is 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]-5-methyl-1,3-oxazolidin-2-one.

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

The canonical SMILES for 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]-5-methyl-1,3-oxazolidin-2-one is Cc1cnc(N2CCN(C(=O)c3c(F)cc(N4CC(C)OC4=O)cc3F)CC2)c(C)c1.

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

The InChIKey is JFSIBHIIHLOLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O3/c1-13-8-14(2)20(25-11-13)26-4-6-27(7-5-26)21(29)19-17(23)9-16(10-18(19)24)28-12-15(3)31-22(28)30/h8-11,15H,4-7,12H2,1-3H3.

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

3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 430.46 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67382286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).