5-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidine-2-carbaldehyde

C24H25F2N5O5S — CID 175235147

About 5-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidine-2-carbaldehyde

5-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidine-2-carbaldehyde (PubChem CID 175235147) has the molecular formula C24H25F2N5O5S and a molecular weight of 533.56 g/mol. Its IUPAC name is 5-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidine-2-carbaldehyde.

Molecular Properties

• Compound Name: 5-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidine-2-carbaldehyde
• PubChem CID: 175235147
• Molecular Formula: C24H25F2N5O5S
• Molecular Weight: 533.56 g/mol
• Exact Mass: 533.15
• IUPAC Name: 5-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidine-2-carbaldehyde
• SMILES: Cc1nc(-c2ccc(N3CC(CN4CCN(S(=O)(=O)c5ccc(F)c(F)c5)CC4)OC3C=O)cc2)no1
• InChI: InChI=1S/C24H25F2N5O5S/c1-16-27-24(28-36-16)17-2-4-18(5-3-17)31-14-19(35-23(31)15-32)13-29-8-10-30(11-9-29)37(33,34)20-6-7-21(25)22(26)12-20/h2-7,12,15,19,23H,8-11,13-14H2,1H3
• InChIKey: FLOGGWMRHGDFFQ-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 109.08 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.56
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidine-2-carbaldehyde?

The IUPAC name of 5-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidine-2-carbaldehyde (CID 175235147) is 5-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidine-2-carbaldehyde.

What is the SMILES notation for 5-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidine-2-carbaldehyde?

The canonical SMILES for 5-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidine-2-carbaldehyde is Cc1nc(-c2ccc(N3CC(CN4CCN(S(=O)(=O)c5ccc(F)c(F)c5)CC4)OC3C=O)cc2)no1.

What is the InChIKey of 5-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidine-2-carbaldehyde?

The InChIKey is FLOGGWMRHGDFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O5S/c1-16-27-24(28-36-16)17-2-4-18(5-3-17)31-14-19(35-23(31)15-32)13-29-8-10-30(11-9-29)37(33,34)20-6-7-21(25)22(26)12-20/h2-7,12,15,19,23H,8-11,13-14H2,1H3.

What are the key properties of 5-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidine-2-carbaldehyde?

5-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidine-2-carbaldehyde has a molecular weight of 533.56 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidine-2-carbaldehyde is sourced from PubChem (CID 175235147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).