3-[2-[4-[(1R,3S)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one

C24H27F2N3O2 — CID 24840865

About 3-[2-[4-[(1R,3S)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one

3-[2-[4-[(1R,3S)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 24840865) has the molecular formula C24H27F2N3O2 and a molecular weight of 427.50 g/mol. Its IUPAC name is 3-[2-[4-[(1R,3S)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[2-[4-[(1R,3S)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
• PubChem CID: 24840865
• Molecular Formula: C24H27F2N3O2
• Molecular Weight: 427.50 g/mol
• Exact Mass: 427.21
• IUPAC Name: 3-[2-[4-[(1R,3S)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
• SMILES: O=C1OCCN1CCN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1
• InChI: InChI=1S/C24H27F2N3O2/c25-18-3-1-17(2-4-18)21-16-23(22-15-19(26)5-6-20(21)22)28-10-7-27(8-11-28)9-12-29-13-14-31-24(29)30/h1-6,15,21,23H,7-14,16H2/t21-,23+/m0/s1
• InChIKey: QKJLOTFQPVMUTF-JTHBVZDNSA-N
• XLogP: 3.61
• TPSA: 36.02 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.50
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(1R,3S)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-[2-[4-[(1R,3S)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one (CID 24840865) is 3-[2-[4-[(1R,3S)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[2-[4-[(1R,3S)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[2-[4-[(1R,3S)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one is O=C1OCCN1CCN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1.

What is the InChIKey of 3-[2-[4-[(1R,3S)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?

The InChIKey is QKJLOTFQPVMUTF-JTHBVZDNSA-N. The full InChI is InChI=1S/C24H27F2N3O2/c25-18-3-1-17(2-4-18)21-16-23(22-15-19(26)5-6-20(21)22)28-10-7-27(8-11-28)9-12-29-13-14-31-24(29)30/h1-6,15,21,23H,7-14,16H2/t21-,23+/m0/s1.

What are the key properties of 3-[2-[4-[(1R,3S)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?

3-[2-[4-[(1R,3S)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 427.50 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-[(1R,3S)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 24840865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).