3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;ethane;methoxyethane

C24H32Cl2N4O4 — CID 143982825

About 3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;ethane;methoxyethane

3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;ethane;methoxyethane (PubChem CID 143982825) has the molecular formula C24H32Cl2N4O4 and a molecular weight of 511.45 g/mol. Its IUPAC name is 3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;ethane;methoxyethane.

Molecular Properties

• Compound Name: 3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;ethane;methoxyethane
• PubChem CID: 143982825
• Molecular Formula: C24H32Cl2N4O4
• Molecular Weight: 511.45 g/mol
• Exact Mass: 510.18
• IUPAC Name: 3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;ethane;methoxyethane
• SMILES: CC.CCOC.O=C(c1ccc(N2CCOC2=O)cc1)N1CCN(c2ncc(Cl)cc2Cl)CC1
• InChI: InChI=1S/C19H18Cl2N4O3.C3H8O.C2H6/c20-14-11-16(21)17(22-12-14)23-5-7-24(8-6-23)18(26)13-1-3-15(4-2-13)25-9-10-28-19(25)27;1-3-4-2;1-2/h1-4,11-12H,5-10H2;3H2,1-2H3;1-2H3
• InChIKey: YGELCSYRLCBUKE-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 75.21 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.45
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;ethane;methoxyethane?

The IUPAC name of 3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;ethane;methoxyethane (CID 143982825) is 3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;ethane;methoxyethane.

What is the SMILES notation for 3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;ethane;methoxyethane?

The canonical SMILES for 3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;ethane;methoxyethane is CC.CCOC.O=C(c1ccc(N2CCOC2=O)cc1)N1CCN(c2ncc(Cl)cc2Cl)CC1.

What is the InChIKey of 3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;ethane;methoxyethane?

The InChIKey is YGELCSYRLCBUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O3.C3H8O.C2H6/c20-14-11-16(21)17(22-12-14)23-5-7-24(8-6-23)18(26)13-1-3-15(4-2-13)25-9-10-28-19(25)27;1-3-4-2;1-2/h1-4,11-12H,5-10H2;3H2,1-2H3;1-2H3.

What are the key properties of 3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;ethane;methoxyethane?

3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;ethane;methoxyethane has a molecular weight of 511.45 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;ethane;methoxyethane is sourced from PubChem (CID 143982825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).