(4R)-3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-ethyl-1,3-oxazolidin-2-one

C27H35N5O5S — CID 58484670

About (4R)-3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-ethyl-1,3-oxazolidin-2-one

(4R)-3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-ethyl-1,3-oxazolidin-2-one (PubChem CID 58484670) has the molecular formula C27H35N5O5S and a molecular weight of 541.67 g/mol. Its IUPAC name is (4R)-3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-ethyl-1,3-oxazolidin-2-one
• PubChem CID: 58484670
• Molecular Formula: C27H35N5O5S
• Molecular Weight: 541.67 g/mol
• Exact Mass: 541.24
• IUPAC Name: (4R)-3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-ethyl-1,3-oxazolidin-2-one
• SMILES: CCc1cnc(N2CCN(C(=O)c3ccc(N4C(=O)OC[C@H]4CC)cc3N3CCCS3(=O)=O)CC2)c(C)c1
• InChI: InChI=1S/C27H35N5O5S/c1-4-20-15-19(3)25(28-17-20)29-10-12-30(13-11-29)26(33)23-8-7-22(32-21(5-2)18-37-27(32)34)16-24(23)31-9-6-14-38(31,35)36/h7-8,15-17,21H,4-6,9-14,18H2,1-3H3/t21-/m1/s1
• InChIKey: WLTUKPYJEGDVDN-OAQYLSRUSA-N
• XLogP: 3.19
• TPSA: 103.36 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.67
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-ethyl-1,3-oxazolidin-2-one?

The IUPAC name of (4R)-3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-ethyl-1,3-oxazolidin-2-one (CID 58484670) is (4R)-3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-ethyl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R)-3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-ethyl-1,3-oxazolidin-2-one?

The canonical SMILES for (4R)-3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-ethyl-1,3-oxazolidin-2-one is CCc1cnc(N2CCN(C(=O)c3ccc(N4C(=O)OC[C@H]4CC)cc3N3CCCS3(=O)=O)CC2)c(C)c1.

What is the InChIKey of (4R)-3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-ethyl-1,3-oxazolidin-2-one?

The InChIKey is WLTUKPYJEGDVDN-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H35N5O5S/c1-4-20-15-19(3)25(28-17-20)29-10-12-30(13-11-29)26(33)23-8-7-22(32-21(5-2)18-37-27(32)34)16-24(23)31-9-6-14-38(31,35)36/h7-8,15-17,21H,4-6,9-14,18H2,1-3H3/t21-/m1/s1.

What are the key properties of (4R)-3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-ethyl-1,3-oxazolidin-2-one?

(4R)-3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-ethyl-1,3-oxazolidin-2-one has a molecular weight of 541.67 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58484670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).